data_2qmv_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 2qmv _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 210' ' ' ASP . . . . . 0.579 ' HA ' ' HB1' ' A' ' 213' ' ' ALA . 17.0 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.688 ' CD1' ' C ' ' A' ' 211' ' ' LEU . 0.1 OUTLIER -46.66 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 212' ' ' ARG . . . . . 0.449 ' N ' HD13 ' A' ' 211' ' ' LEU . 0.2 OUTLIER -87.86 -14.81 38.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . 0.579 ' HB1' ' HA ' ' A' ' 210' ' ' ASP . . . -74.58 -63.37 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 214' ' ' LEU . . . . . 0.503 ' HB3' ' O ' ' A' ' 210' ' ' ASP . 15.6 tp -56.03 -50.25 71.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -44.72 -60.96 1.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . 0.667 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -54.07 -28.05 36.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 217' ' ' HIS . . . . . 0.596 ' HA ' ' HB2' ' A' ' 220' ' ' ASP . 32.6 t60 -75.87 -68.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.591 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.697 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 0.2 OUTLIER -37.78 -54.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 219' ' ' TYR . . . . . 0.573 ' CZ ' HD13 ' A' ' 223' ' ' ILE . 4.8 t80 -69.77 -29.45 66.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . 0.667 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 0.3 OUTLIER -60.02 -76.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 221' ' ' SER . . . . . 0.756 ' OG ' ' CB ' ' A' ' 302' ' ' SER . 67.6 p -51.46 -27.63 10.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 222' ' ' TYR . . . . . 0.781 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 16.2 t80 -74.68 -52.59 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 223' ' ' ILE . . . . . 0.573 HD13 ' CZ ' ' A' ' 219' ' ' TYR . 0.6 OUTLIER -57.13 -6.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . 0.508 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -100.42 -43.45 6.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 225' ' ' SER . . . . . 0.593 ' OG ' ' O ' ' A' ' 295' ' ' GLU . 44.8 t -65.8 -82.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 226' ' ' PHE . . . . . 0.612 ' CD2' ' HE2' ' A' ' 329' ' ' MET . 1.2 t80 -115.0 110.87 45.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.65 14.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.55 ' HB2' ' CE1' ' A' ' 226' ' ' PHE . 0.2 OUTLIER -57.74 109.38 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 229' ' ' THR . . . . . 0.645 ' O ' ' N ' ' A' ' 233' ' ' ALA . 76.2 p -137.85 -177.65 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . 0.796 ' CG ' ' HB3' ' A' ' 332' ' ' SER . 0.5 OUTLIER -64.56 -26.93 68.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 235' ' ' ALA . . . -78.78 -23.93 44.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 232' ' ' LYS . . . . . 0.524 ' O ' HG12 ' A' ' 236' ' ' ILE . 1.6 mttm -99.8 -34.02 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 233' ' ' ALA . . . . . 0.645 ' N ' ' O ' ' A' ' 229' ' ' THR . . . -72.71 -51.57 18.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . 0.688 ' N ' ' HD2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -75.62 -9.15 58.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . 0.963 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -80.78 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.56 ' CG1' ' HB3' ' A' ' 246' ' ' PRO . 19.5 pt -61.43 -41.69 90.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 237' ' ' LEU . . . . . 0.56 ' CD1' ' NH1' ' A' ' 234' ' ' ARG . 14.6 mt -46.81 -27.98 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 238' ' ' THR . . . . . . . . . . . . . 5.2 t -173.54 -30.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . 0.963 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . 0.7 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 247' ' ' PHE . . . . . 0.699 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 2.0 t80 -12.26 77.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.7 ' N ' ' O ' ' A' ' 246' ' ' PRO . 3.8 t -53.03 138.39 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 249' ' ' ILE . . . . . 0.542 HG12 ' CZ ' ' A' ' 247' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 276' ' ' GLU . . . . . 0.616 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 1.2 pt-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 277' ' ' VAL . . . . . . . . . . . . . 15.4 t -51.55 -16.58 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 278' ' ' ALA . . . . . 0.706 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -83.47 -68.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 0.513 ' C ' ' O ' ' A' ' 278' ' ' ALA . 1.3 mp -31.59 -36.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 278' ' ' ALA . 4.6 mtp180 -77.41 -54.72 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 281' ' ' ILE . . . . . 0.618 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.6 OUTLIER -74.31 -47.68 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 282' ' ' PHE . . . . . 0.797 ' CD2' ' CZ ' ' A' ' 360' ' ' PHE . 0.5 OUTLIER -50.26 -44.74 53.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 283' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 78.2 mt-30 -67.01 -36.43 82.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 284' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -81.17 -57.14 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 285' ' ' CYS . . . . . 0.618 ' N ' ' O ' ' A' ' 281' ' ' ILE . 1.7 p -55.23 -15.47 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 286' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 3.4 tt0 -107.89 -23.31 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 287' ' ' PHE . . . . . 0.708 ' CE1' ' CG ' ' A' ' 291' ' ' GLU . 8.9 t80 -50.73 -48.26 59.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . 0.569 ' NH2' ' CE2' ' A' ' 287' ' ' PHE . 2.1 mmp_? -48.18 -21.88 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.45 -59.61 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 290' ' ' VAL . . . . . . . . . . . . . 3.0 m -53.27 -23.77 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . 0.708 ' CG ' ' CE1' ' A' ' 287' ' ' PHE . 30.2 mt-10 -78.5 -61.52 1.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . 0.676 ' CB ' HG12 ' A' ' 326' ' ' ILE . . . -34.44 -56.83 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 292' ' ' ALA . 17.1 t -39.33 -46.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 294' ' ' GLN . . . . . 0.546 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.8 mt-30 -72.35 -29.37 63.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 295' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 292' ' ' ALA . 6.7 mm-40 -76.72 -57.15 4.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 300' ' ' ALA . 2.2 mp -37.75 -63.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -40.07 -60.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.47 -27.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 299' ' ' TYR . . . . . 0.781 ' CZ ' ' HB2' ' A' ' 222' ' ' TYR . 0.8 OUTLIER -108.14 -33.83 7.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.776 ' N ' ' O ' ' A' ' 296' ' ' ILE . . . -61.82 -56.35 20.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -50.78 -1.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 302' ' ' SER . . . . . 0.756 ' CB ' ' OG ' ' A' ' 221' ' ' SER . 8.2 p -73.49 -39.01 65.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 303' ' ' ILE . . . . . 0.52 HG23 ' CG2' ' A' ' 409' ' ' ILE . 1.7 mt -56.92 129.47 78.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 47.46 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . 0.593 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -167.35 -27.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.779 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 65.6 t80 -55.34 -60.25 3.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -23.76 33.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -73.55 -14.06 61.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.779 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.2 mt -69.91 -109.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 310' ' ' ASP . . . . . 0.694 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -144.77 151.32 38.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -46.99 79.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 312' ' ' ASN . . . . . 0.528 ' CB ' HD13 ' A' ' 401' ' ' LEU . 14.0 m-80 -78.46 -50.49 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 313' ' ' ASP . . . . . 0.694 ' CB ' ' HB3' ' A' ' 310' ' ' ASP . 43.6 t0 -47.49 -53.23 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 314' ' ' GLN . . . . . 0.577 ' NE2' ' N ' ' A' ' 310' ' ' ASP . 11.8 mt-30 -50.71 -47.21 59.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.84 -50.19 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 316' ' ' THR . . . . . 0.759 HG21 ' HA ' ' A' ' 400' ' ' LEU . 1.3 m -42.15 -59.35 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 317' ' ' LEU . . . . . 0.775 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.3 OUTLIER -50.53 -56.34 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 318' ' ' LEU . . . . . 0.497 ' CD2' ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -54.48 -49.87 69.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -41.49 -42.77 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 320' ' ' TYR . . . . . 0.515 ' O ' ' HD2' ' A' ' 397' ' ' ARG . 11.1 m-85 -113.37 5.15 16.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 321' ' ' GLY . . . . . 0.775 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -107.4 -54.3 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 322' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 326' ' ' ILE . 2.9 p -37.16 -32.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . 0.605 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 17.7 m170 -56.65 -68.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 324' ' ' GLU . . . . . 0.848 ' O ' ' HB ' ' A' ' 328' ' ' THR . 0.9 OUTLIER -58.86 -2.98 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 325' ' ' ILE . . . . . 0.677 ' O ' HG21 ' A' ' 328' ' ' THR . 1.1 mp -93.92 -61.14 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 326' ' ' ILE . . . . . 0.928 ' O ' ' HB2' ' A' ' 330' ' ' LEU . 38.9 mt -56.65 -40.89 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.605 ' CD2' ' O ' ' A' ' 323' ' ' HIS . 23.6 m-85 -78.31 -21.31 49.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' THR . . . . . 0.848 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 0.6 OUTLIER -56.82 -58.73 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' MET . . . . . 0.612 ' HE2' ' CD2' ' A' ' 226' ' ' PHE . 11.7 ptm -90.17 -31.51 17.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.928 ' HB2' ' O ' ' A' ' 326' ' ' ILE . 0.4 OUTLIER -35.84 -64.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 331' ' ' ALA . . . . . 0.708 ' C ' ' HB3' ' A' ' 371' ' ' ALA . . . -34.0 -49.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 332' ' ' SER . . . . . 0.796 ' HB3' ' CG ' ' A' ' 230' ' ' LYS . 0.8 OUTLIER -59.1 -48.06 82.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . 0.578 ' N ' ' O ' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -77.52 31.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' MET . . . . . 0.656 ' HG2' ' O ' ' A' ' 330' ' ' LEU . 2.9 mmt -108.76 173.44 6.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' ASN . . . . . 0.725 ' O ' ' CD1' ' A' ' 368' ' ' PHE . 3.0 t-20 -140.19 167.87 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' LYS . . . . . 0.765 ' O ' ' CZ ' ' A' ' 368' ' ' PHE . 0.1 OUTLIER -58.29 -45.24 88.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' ASP . . . . . 0.628 ' HA ' ' NH1' ' A' ' 350' ' ' ARG . 1.6 m-20 -135.45 42.23 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . 0.84 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -175.88 178.22 47.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . 0.635 ' O ' HG21 ' A' ' 341' ' ' ILE . 17.0 m -148.73 129.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.544 ' CD2' ' CD1' ' A' ' 237' ' ' LEU . 1.9 mm? -52.87 127.13 22.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' ILE . . . . . 0.678 HG22 ' N ' ' A' ' 348' ' ' MET . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . 0.699 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.623 ' CE1' HG21 ' A' ' 349' ' ' THR . 3.2 p90 -178.03 143.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 0.735 . . . . 0.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.678 ' N ' HG22 ' A' ' 341' ' ' ILE . 4.1 mtp -91.5 115.08 27.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' THR . . . . . 0.84 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 2.3 p -71.56 155.7 40.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.431 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . 0.872 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 0.0 OUTLIER -69.0 -52.92 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 351' ' ' GLU . . . . . 0.5 ' O ' ' OG ' ' A' ' 355' ' ' SER . 8.2 mm-40 -46.81 -19.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 352' ' ' PHE . . . . . 0.58 ' CD2' ' HE1' ' A' ' 348' ' ' MET . 6.5 t80 -89.14 -74.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 353' ' ' LEU . . . . . 0.611 ' O ' ' CG ' ' A' ' 356' ' ' LEU . 0.3 OUTLIER -41.03 -54.54 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 354' ' ' LYS . . . . . 0.655 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.4 OUTLIER -57.56 -49.2 77.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 355' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 351' ' ' GLU . 1.7 m -51.28 78.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 356' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 354' ' ' LYS . 0.7 OUTLIER 165.81 -159.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 357' ' ' ARG . . . . . 0.616 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.0 OUTLIER -29.95 127.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 358' ' ' LYS . . . . . 0.743 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -44.12 -47.05 23.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 359' ' ' PRO . . . . . 0.743 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.02 -78.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.444 1.76 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 360' ' ' PHE . . . . . 0.797 ' CZ ' ' CD2' ' A' ' 282' ' ' PHE . 2.0 m-85 -45.7 -13.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 361' ' ' GLY . . . . . 0.644 ' C ' ' HA ' ' A' ' 354' ' ' LYS . . . -92.41 45.86 2.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 362' ' ' ASP . . . . . 0.423 ' HA ' ' HG3' ' A' ' 354' ' ' LYS . 21.5 t0 178.15 58.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 363' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -124.95 33.45 5.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 364' ' ' MET . . . . . 0.747 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 0.0 OUTLIER -157.03 -42.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 365' ' ' GLU . . . . . 0.872 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 0.8 OUTLIER -46.5 -39.02 12.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . 0.747 ' HD2' ' C ' ' A' ' 364' ' ' MET . 18.2 Cg_endo -74.96 -26.58 10.87 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 367' ' ' LYS . . . . . 0.628 ' CB ' ' CE ' ' A' ' 334' ' ' MET . 11.9 mttt -73.52 -57.03 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 368' ' ' PHE . . . . . 0.765 ' CZ ' ' O ' ' A' ' 336' ' ' LYS . 0.0 OUTLIER -58.97 -50.94 72.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 368' ' ' PHE . 2.0 tt0 -48.19 -52.7 19.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 370' ' ' PHE . . . . . 0.722 ' CD2' ' CD1' ' A' ' 445' ' ' ILE . 3.3 m-85 -55.5 -35.56 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 371' ' ' ALA . . . . . 0.708 ' HB3' ' C ' ' A' ' 331' ' ' ALA . . . -64.18 -45.74 87.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -50.71 -21.81 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 373' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 370' ' ' PHE . 0.0 OUTLIER -107.47 -20.97 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 374' ' ' PHE . . . . . 0.65 ' CZ ' ' CD2' ' A' ' 442' ' ' LEU . 0.7 OUTLIER -89.29 -35.31 16.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 371' ' ' ALA . 19.4 m120 -49.34 -15.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . 0.501 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -88.75 36.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.598 HD21 ' CG ' ' A' ' 374' ' ' PHE . 1.1 pp -160.52 2.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 378' ' ' GLU . . . . . 0.484 ' OE1' ' OG ' ' A' ' 332' ' ' SER . 3.9 mt-10 -104.05 113.24 26.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 425' ' ' HIS . 4.2 mm? -81.96 -111.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 380' ' ' ASP . . . . . 0.6 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 27.9 p30 -106.37 141.16 38.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . 0.492 ' CG ' ' HB ' ' A' ' 229' ' ' THR . 8.7 m-20 -35.94 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 382' ' ' SER . . . . . 0.6 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 3.3 m -58.71 -61.82 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.046 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . 0.54 ' CG ' ' OD1' ' A' ' 380' ' ' ASP . 4.4 m-20 -60.27 -27.79 67.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 4.2 mt -75.86 -55.25 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . 0.686 ' CB ' ' CD2' ' A' ' 222' ' ' TYR . . . -38.16 -40.87 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 389' ' ' ALA . 14.5 mt -71.98 -49.0 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 387' ' ' PHE . . . . . 0.529 ' CE2' HD21 ' A' ' 436' ' ' LEU . 6.9 t80 -39.35 -58.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 388' ' ' ILE . . . . . 0.534 ' CG1' ' CG2' ' A' ' 325' ' ' ILE . 8.1 tt -43.81 -33.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 386' ' ' ILE . . . -74.78 -42.36 58.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 387' ' ' PHE . 59.0 t -59.35 -11.65 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.605 ' C ' HD13 ' A' ' 325' ' ' ILE . 4.2 mp -113.69 -20.68 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 392' ' ' ILE . . . . . 0.613 ' O ' ' N ' ' A' ' 394' ' ' SER . 0.2 OUTLIER -69.08 -52.94 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . 0.747 ' CD1' ' HB ' ' A' ' 409' ' ' ILE . 3.1 mm? -64.54 53.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 394' ' ' SER . . . . . 0.613 ' N ' ' O ' ' A' ' 392' ' ' ILE . 0.5 OUTLIER 28.49 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 395' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 393' ' ' LEU . . . 55.63 20.18 23.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 396' ' ' ASP . . . . . 0.457 ' HB3' ' NH2' ' A' ' 397' ' ' ARG . 0.3 OUTLIER 167.91 35.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 397' ' ' ARG . . . . . 0.61 ' CG ' ' OG ' ' A' ' 394' ' ' SER . 1.4 mmt180 -118.52 127.54 26.51 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.333 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 133.89 17.17 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.458 1.768 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . 0.589 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . 91.09 31.46 9.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.759 ' HA ' HG21 ' A' ' 316' ' ' THR . 2.4 mt -78.85 175.14 10.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.564 HD13 ' N ' ' A' ' 313' ' ' ASP . 30.9 mt -117.31 -68.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . 1.057 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 1.4 m120 -106.82 75.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 403' ' ' VAL . . . . . 0.735 ' HA ' HD13 ' A' ' 406' ' ' ILE . 1.2 t -65.67 -7.72 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.681 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 12.3 mtmt -78.02 -54.01 1.35 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . 1.057 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -74.97 -38.81 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . 0.762 ' CD1' ' O ' ' A' ' 402' ' ' ASN . 3.8 mt -57.53 -71.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.21 -23.18 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . 0.681 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 49.5 m-20 -74.72 -51.59 13.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' ILE . . . . . 0.747 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 4.7 mm -56.43 -22.37 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . 0.612 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -74.33 -45.77 45.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -44.12 -25.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . 0.434 ' N ' ' C ' ' A' ' 410' ' ' GLN . 12.5 t30 -84.42 -66.52 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 409' ' ' ILE . 0.1 OUTLIER -42.85 -41.22 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.522 ' CD2' ' CE2' ' A' ' 432' ' ' PHE . 0.2 OUTLIER -60.12 -48.93 79.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.613 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 39.4 mt-30 -50.46 -55.54 15.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 419' ' ' LEU . . . -52.77 -45.52 67.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . 0.751 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -49.15 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' GLU . . . . . 0.699 ' HB2' ' CG ' ' A' ' 432' ' ' PHE . 7.2 tm-20 -55.4 -19.1 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 211' ' ' LEU . 0.3 OUTLIER -68.62 -84.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' GLN . . . . . 0.717 ' NE2' ' ND2' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -57.36 -8.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' A' ' 417' ' ' LEU . 9.6 tt -91.89 -50.54 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 0.7 OUTLIER -71.36 -2.37 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 419' ' ' LEU . 10.5 mt -104.9 -45.44 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.717 ' ND2' ' NE2' ' A' ' 420' ' ' GLN . 50.9 m-20 -73.41 -9.11 58.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.576 ' CD2' ' HG ' ' A' ' 379' ' ' LEU . 0.0 OUTLIER -167.28 69.28 0.95 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.56 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.601 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.2 Cg_endo -75.05 115.49 4.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 428' ' ' SER . 16.4 pt-20 -174.56 125.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 427' ' ' GLU . 0.3 OUTLIER 84.06 -166.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 431' ' ' LEU . 53.0 m -129.73 154.69 46.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 433' ' ' ALA . 0.0 OUTLIER 39.97 27.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 429' ' ' SER . 34.0 tp -40.13 -43.19 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' PHE . . . . . 0.699 ' CG ' ' HB2' ' A' ' 418' ' ' GLU . 25.8 p90 -72.58 -37.69 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' ALA . . . . . 0.562 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -56.33 -25.22 48.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . 0.401 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 10.5 ptmt -104.25 -17.93 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' LEU . . . . . 0.627 ' HB3' ' HA ' ' A' ' 432' ' ' PHE . 0.1 OUTLIER -82.71 -30.72 28.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.6 ' O ' ' HG2' ' A' ' 439' ' ' MET . 79.9 mt -75.71 -43.9 44.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 3.0 mt-30 -43.43 -16.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 436' ' ' LEU . 1.3 mmpp? -50.79 -24.66 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' MET . . . . . 0.607 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -28.05 -41.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 438' ' ' LYS . 66.6 p -33.86 -74.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 110.413 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.618 ' O ' HG13 ' A' ' 445' ' ' ILE . 0.2 OUTLIER -57.9 -24.27 56.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' LEU . . . . . 0.65 ' CD2' ' CZ ' ' A' ' 374' ' ' PHE . 0.1 OUTLIER -73.76 -76.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' ARG . . . . . 0.607 ' N ' ' O ' ' A' ' 439' ' ' MET . 6.9 ttp180 -49.7 -18.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 440' ' ' THR . 7.2 mm-40 -69.65 -65.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.722 ' CD1' ' CD2' ' A' ' 370' ' ' PHE . 0.3 OUTLIER -43.17 -43.37 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.582 HG22 ' CD2' ' A' ' 327' ' ' TYR . 10.6 t -51.94 -69.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 444' ' ' GLN . 8.9 t -45.27 -24.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 446' ' ' VAL . 8.0 mt-10 -80.48 -53.41 6.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -43.92 -29.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.538 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' VAL . . . . . 0.816 ' O ' ' N ' ' A' ' 454' ' ' GLN . 4.0 t -86.51 -47.75 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' GLN . . . . . 0.438 ' O ' ' CG2' ' A' ' 455' ' ' VAL . 44.5 mt-30 -40.15 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.589 ' HB2' ' CE1' ' A' ' 363' ' ' PHE . 7.8 mt -89.43 -57.46 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.618 ' HA ' ' CG1' ' A' ' 456' ' ' ILE . 5.0 tp -70.15 -7.33 40.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' GLN . . . . . 0.816 ' N ' ' O ' ' A' ' 450' ' ' VAL . 2.2 tp60 -94.69 -46.83 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 451' ' ' GLN . 77.3 t -69.85 -14.3 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . 0.64 ' O ' ' N ' ' A' ' 460' ' ' GLU . 2.4 pp -99.13 -52.61 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' LYS . . . . . 0.616 ' HB3' ' O ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -56.46 -16.39 5.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' LYS . . . . . 0.74 ' HG3' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -113.68 -22.1 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' THR . . . . . 0.435 ' O ' ' CG2' ' A' ' 459' ' ' THR . 3.0 m -153.89 56.79 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.2 mm-40 -51.14 172.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -69.61 -29.62 67.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 461' ' ' THR . 3.2 t0 168.97 46.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' MET . . . . . 0.471 ' O ' ' CB ' ' A' ' 464' ' ' SER . 0.5 OUTLIER 59.14 145.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 463' ' ' MET . 0.6 OUTLIER 161.35 44.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.034 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.514 ' CD2' ' C ' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -138.5 169.72 17.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . 1.078 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 8.1 p80 -119.28 -172.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.618 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . 1.078 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.98 -43.75 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 0.6 OUTLIER -47.04 -18.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 0.0 109.365 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' LEU . . . . . 0.75 ' CD2' ' CE1' ' A' ' 466' ' ' HIS . 13.5 mt -93.86 -55.64 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -47.51 -29.37 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 467' ' ' PRO . 35.5 mt-10 -75.72 -51.5 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.1 mm -46.33 -57.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' TYR . . . . . 0.536 ' CZ ' ' HD3' ' A' ' 457' ' ' LYS . 1.4 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 210' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 214' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' A' ' 419' ' ' LEU . 0.2 OUTLIER -40.88 -63.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -56.05 -37.91 69.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -69.89 -60.51 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 214' ' ' LEU . . . . . 0.673 ' N ' ' O ' ' A' ' 210' ' ' ASP . 0.3 OUTLIER -49.53 -34.3 17.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 215' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 217' ' ' HIS . . . -53.1 -70.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . 0.804 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -35.59 -34.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 217' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 220' ' ' ASP . 40.4 t60 -69.43 -66.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.646 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.805 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 0.1 OUTLIER -34.33 -56.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 219' ' ' TYR . . . . . 1.071 ' CE1' ' HA ' ' A' ' 382' ' ' SER . 59.9 m-85 -73.56 -26.41 60.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . 0.804 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 9.2 t0 -56.83 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 221' ' ' SER . . . . . 0.582 ' HB3' ' CB ' ' A' ' 302' ' ' SER . 14.6 t -53.0 -27.38 18.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 222' ' ' TYR . . . . . 0.811 ' CD2' ' CE2' ' A' ' 299' ' ' TYR . 0.8 OUTLIER -74.91 -47.3 30.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 111.036 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 223' ' ' ILE . . . . . 0.599 ' N ' ' O ' ' A' ' 219' ' ' TYR . 1.1 mp -55.96 -10.66 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 220' ' ' ASP . 1.2 mptp? -98.0 -44.7 6.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 225' ' ' SER . . . . . 0.58 ' OG ' ' O ' ' A' ' 295' ' ' GLU . 43.3 t -62.91 -84.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 226' ' ' PHE . . . . . 0.624 ' CZ ' ' HB3' ' A' ' 228' ' ' LEU . 6.1 t80 -113.42 96.47 39.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 227' ' ' PRO . . . . . 0.632 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.2 Cg_endo -75.02 -18.92 18.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.624 ' HB3' ' CZ ' ' A' ' 226' ' ' PHE . 0.9 OUTLIER -61.85 65.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 229' ' ' THR . . . . . 0.632 ' N ' ' O ' ' A' ' 227' ' ' PRO . 12.4 p -86.64 -162.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . 0.561 ' HB2' ' CB ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -80.34 -27.08 38.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -78.87 -42.09 28.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 232' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 227' ' ' PRO . 3.9 mttp -74.72 -36.81 62.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 233' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 229' ' ' THR . . . -69.84 -42.66 73.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . 0.672 ' N ' ' HD2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -77.73 -4.8 48.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . 1.044 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -83.24 -56.32 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.52 ' CD1' HD12 ' A' ' 340' ' ' LEU . 19.8 pt -73.3 -35.2 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 237' ' ' LEU . . . . . 0.619 HD11 ' CD2' ' A' ' 340' ' ' LEU . 12.7 mt -54.17 -29.45 45.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 238' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 237' ' ' LEU . 1.4 t 176.63 25.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.443 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . 1.044 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . 0.776 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 111.045 -0.406 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 247' ' ' PHE . . . . . 0.638 ' C ' ' O ' ' A' ' 246' ' ' PRO . 12.3 t80 -11.59 73.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.776 ' N ' ' O ' ' A' ' 246' ' ' PRO . 2.8 t -50.49 139.03 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 249' ' ' ILE . . . . . 0.502 ' CG2' ' HG2' ' A' ' 348' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 276' ' ' GLU . . . . . 0.577 ' CG ' ' H ' ' A' ' 278' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 277' ' ' VAL . . . . . 0.494 ' O ' ' CG ' ' A' ' 280' ' ' ARG . 2.8 t -50.47 -32.19 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 278' ' ' ALA . . . . . 0.721 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -77.98 -70.25 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 0.612 ' C ' ' O ' ' A' ' 278' ' ' ALA . 0.4 OUTLIER -22.31 -45.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . 0.652 ' N ' ' O ' ' A' ' 278' ' ' ALA . 1.5 ptt180 -75.83 -55.18 5.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 281' ' ' ILE . . . . . 0.639 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.4 OUTLIER -70.93 -44.41 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 282' ' ' PHE . . . . . 0.795 ' CE1' ' CE2' ' A' ' 360' ' ' PHE . 0.1 OUTLIER -51.67 -48.87 63.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 283' ' ' GLN . . . . . 0.539 ' HG3' ' N ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -57.81 -36.07 71.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 284' ' ' GLY . . . . . 0.539 ' N ' ' HG3' ' A' ' 283' ' ' GLN . . . -82.56 -56.45 2.8 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 285' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 353' ' ' LEU . 1.5 m -54.02 -14.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 286' ' ' GLN . . . . . 0.473 ' N ' ' C ' ' A' ' 284' ' ' GLY . 33.5 tp60 -107.55 -24.5 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 287' ' ' PHE . . . . . 0.62 ' CD2' ' OE2' ' A' ' 291' ' ' GLU . 17.1 t80 -55.07 -28.73 54.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -21.31 65.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 13.4 t -87.11 -59.59 2.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 290' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 293' ' ' VAL . 27.3 m -50.23 -22.84 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . 0.635 ' O ' ' N ' ' A' ' 294' ' ' GLN . 46.2 mt-10 -82.77 -59.19 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . 0.63 ' CB ' HG12 ' A' ' 326' ' ' ILE . . . -31.99 -57.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 290' ' ' VAL . 1.5 p -43.61 -45.44 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 294' ' ' GLN . . . . . 0.635 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.7 mt-30 -72.16 -26.3 62.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 295' ' ' GLU . . . . . 0.58 ' O ' ' OG ' ' A' ' 225' ' ' SER . 5.7 mt-10 -78.98 -61.58 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . 0.547 ' CG2' ' CD1' ' A' ' 392' ' ' ILE . 3.6 mt -40.85 -66.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 297' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 299' ' ' TYR . 0.9 OUTLIER -40.52 -63.41 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 110.434 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.83 -26.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 299' ' ' TYR . . . . . 0.811 ' CE2' ' CD2' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -102.68 -55.68 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 1.032 ' O ' ' N ' ' A' ' 302' ' ' SER . . . -34.11 -49.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -37.66 0.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 302' ' ' SER . . . . . 1.032 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -75.47 -39.86 58.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 303' ' ' ILE . . . . . 0.535 HG22 ' CG2' ' A' ' 409' ' ' ILE . 0.9 OUTLIER -61.81 130.72 92.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 304' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.5 Cg_endo -74.98 48.02 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.427 1.751 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . 0.802 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -169.6 -30.39 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.661 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 52.1 t80 -44.51 -63.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -28.58 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -76.74 -0.52 24.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.802 ' HG ' ' O ' ' A' ' 305' ' ' GLY . 25.9 mt -81.79 -71.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 310' ' ' ASP . . . . . 0.757 ' HB3' ' HB3' ' A' ' 313' ' ' ASP . 6.2 t0 178.23 158.06 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . 0.44 ' O ' ' CG2' ' A' ' 315' ' ' VAL . 0.2 OUTLIER -73.75 -46.01 48.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 312' ' ' ASN . . . . . 0.705 ' O ' ' N ' ' A' ' 316' ' ' THR . 21.4 m-80 -81.53 -58.7 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 313' ' ' ASP . . . . . 0.781 ' HB3' ' NE2' ' A' ' 314' ' ' GLN . 50.1 t0 -35.4 -59.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 314' ' ' GLN . . . . . 0.781 ' NE2' ' HB3' ' A' ' 313' ' ' ASP . 0.0 OUTLIER -60.58 -45.61 93.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 315' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 311' ' ' LEU . 6.6 t -63.65 -36.79 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 316' ' ' THR . . . . . 0.705 ' N ' ' O ' ' A' ' 312' ' ' ASN . 1.0 OUTLIER -60.89 -61.32 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 317' ' ' LEU . . . . . 0.885 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.3 OUTLIER -44.54 -47.81 10.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 318' ' ' LEU . . . . . 0.495 ' CD2' ' HA ' ' A' ' 293' ' ' VAL . 0.3 OUTLIER -62.61 -50.24 72.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -42.62 -28.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 320' ' ' TYR . . . . . 0.476 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 1.1 m-85 -132.87 5.97 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 321' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -106.17 -45.68 1.24 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.573 1.171 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 322' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 326' ' ' ILE . 4.3 p -39.11 -28.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . 0.513 ' O ' ' CG ' ' A' ' 327' ' ' TYR . 70.7 m-70 -66.21 -44.47 83.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 324' ' ' GLU . . . . . 0.956 ' HA ' ' CE1' ' A' ' 327' ' ' TYR . 23.2 mt-10 -76.15 4.19 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 325' ' ' ILE . . . . . 0.775 ' O ' HG22 ' A' ' 328' ' ' THR . 0.9 OUTLIER -109.77 -44.46 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 326' ' ' ILE . . . . . 0.705 ' O ' ' HB2' ' A' ' 330' ' ' LEU . 3.8 mt -76.29 -37.4 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.983 ' CE2' ' HB3' ' A' ' 442' ' ' LEU . 0.0 OUTLIER -77.5 -5.23 49.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' THR . . . . . 0.927 ' N ' ' HD1' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -87.82 -56.99 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' MET . . . . . 0.583 ' N ' ' CG2' ' A' ' 328' ' ' THR . 4.9 ptt? -85.46 -21.03 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.705 ' HB2' ' O ' ' A' ' 326' ' ' ILE . 1.6 mt -39.96 -63.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 331' ' ' ALA . . . . . 0.688 ' HA ' ' SD ' ' A' ' 334' ' ' MET . . . -30.45 -56.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' SER . . . . . 0.561 ' CB ' ' HB2' ' A' ' 230' ' ' LYS . 67.2 m -59.27 -49.58 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 330' ' ' LEU . 0.2 OUTLIER -66.07 -12.46 55.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' MET . . . . . 0.814 ' CE ' ' HB3' ' A' ' 367' ' ' LYS . 5.3 mtp -90.17 174.76 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' ASN . . . . . 0.643 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.7 t-20 -140.45 171.0 14.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' LYS . . . . . 0.643 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -51.06 -57.97 7.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' ASP . . . . . 0.529 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 1.7 m-20 -126.93 37.63 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . 0.826 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -167.82 172.71 42.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . 0.75 ' CG1' ' CE1' ' A' ' 368' ' ' PHE . 14.2 m -151.94 129.11 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.619 ' CD2' HD11 ' A' ' 237' ' ' LEU . 0.8 OUTLIER -35.66 157.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' ILE . . . . . 0.758 HG22 ' HA ' ' A' ' 347' ' ' PHE . 3.1 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . 0.605 ' HA3' ' HB3' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.758 ' HA ' HG22 ' A' ' 341' ' ' ILE . 8.1 p90 -160.32 149.43 17.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.593 ' N ' ' CG2' ' A' ' 341' ' ' ILE . 1.4 mmm -97.51 114.61 26.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' THR . . . . . 0.826 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 1.5 p -64.97 154.58 37.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . 0.86 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 21.4 ttm180 -62.52 -51.52 67.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 351' ' ' GLU . . . . . 0.646 ' HA ' ' HD2' ' A' ' 354' ' ' LYS . 29.4 mm-40 -38.61 -24.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 352' ' ' PHE . . . . . 0.548 ' N ' ' O ' ' A' ' 350' ' ' ARG . 0.3 OUTLIER -88.15 -68.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 353' ' ' LEU . . . . . 0.754 ' O ' ' CD1' ' A' ' 356' ' ' LEU . 0.2 OUTLIER -54.63 -22.67 14.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 354' ' ' LYS . . . . . 0.646 ' HD2' ' HA ' ' A' ' 351' ' ' GLU . 0.1 OUTLIER -85.27 -43.77 13.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 355' ' ' SER . . . . . 0.439 ' N ' ' HD3' ' A' ' 354' ' ' LYS . 9.6 m -66.88 72.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 356' ' ' LEU . . . . . 0.991 ' HB2' ' CA ' ' A' ' 361' ' ' GLY . 4.1 mt -141.87 -120.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 357' ' ' ARG . . . . . 0.846 ' H ' ' HA3' ' A' ' 361' ' ' GLY . 19.7 ptt180 -124.79 156.2 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 358' ' ' LYS . . . . . 0.821 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -29.06 -64.87 0.17 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 359' ' ' PRO . . . . . 1.161 ' O ' ' N ' ' A' ' 361' ' ' GLY . 18.3 Cg_endo -75.0 172.76 15.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.77 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 360' ' ' PHE . . . . . 0.795 ' CE2' ' CE1' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -0.67 44.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 111.023 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 361' ' ' GLY . . . . . 1.161 ' N ' ' O ' ' A' ' 359' ' ' PRO . . . -141.48 -25.07 0.21 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 362' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' A' ' 358' ' ' LYS . 0.7 OUTLIER -154.21 48.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 363' ' ' PHE . . . . . 0.6 ' CG ' ' CD1' ' A' ' 452' ' ' LEU . 5.2 m-85 -129.09 20.73 5.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 364' ' ' MET . . . . . 0.694 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 0.0 OUTLIER -94.2 1.47 56.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 365' ' ' GLU . . . . . 0.86 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 0.1 OUTLIER -61.96 -32.68 10.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.99 -25.08 12.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 367' ' ' LYS . . . . . 0.814 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 2.4 mptt -70.4 -59.28 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 368' ' ' PHE . . . . . 0.75 ' CE1' ' CG1' ' A' ' 339' ' ' VAL . 2.4 m-30 -59.63 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -55.27 -45.3 76.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 370' ' ' PHE . . . . . 0.622 ' CZ ' ' HB3' ' A' ' 331' ' ' ALA . 0.1 OUTLIER -50.89 -48.72 60.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 371' ' ' ALA . . . . . 0.643 ' CB ' ' HA ' ' A' ' 331' ' ' ALA . . . -60.1 -47.43 85.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 24.6 t -61.3 -13.26 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.83 -24.44 12.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 374' ' ' PHE . . . . . 0.513 ' HB2' ' CE1' ' A' ' 370' ' ' PHE . 54.9 t80 -90.44 -40.31 12.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . 0.542 ' ND2' ' OE1' ' A' ' 378' ' ' GLU . 1.5 m-80 -55.18 -11.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -89.39 31.06 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 379' ' ' LEU . 1.2 pp -168.79 3.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 378' ' ' GLU . . . . . 0.542 ' OE1' ' ND2' ' A' ' 375' ' ' ASN . 87.6 mt-10 -64.69 162.4 15.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . 0.632 ' HG ' ' CE1' ' A' ' 425' ' ' HIS . 3.7 mm? -134.26 -106.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 380' ' ' ASP . . . . . 0.671 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 0.6 OUTLIER -130.26 147.24 51.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 385' ' ' ALA . 93.6 m-20 -40.65 -29.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 382' ' ' SER . . . . . 1.071 ' HA ' ' CE1' ' A' ' 219' ' ' TYR . 0.1 OUTLIER -51.97 -66.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . 0.496 ' OD2' ' CB ' ' A' ' 379' ' ' LEU . 2.5 m-20 -59.74 -28.42 67.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 3.9 mt -74.39 -76.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . 0.625 ' N ' ' O ' ' A' ' 381' ' ' ASP . . . -32.13 -62.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.533 HG13 ' CZ ' ' A' ' 219' ' ' TYR . 3.5 mt -40.3 -68.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 387' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 391' ' ' ILE . 0.2 OUTLIER -33.57 -50.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 388' ' ' ILE . . . . . 0.61 HG23 ' CE2' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -47.57 -58.46 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . 0.502 ' N ' ' CG2' ' A' ' 388' ' ' ILE . . . -58.62 -28.71 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 413' ' ' LEU . 4.0 t -78.82 -25.29 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.646 HG21 ' C ' ' A' ' 324' ' ' GLU . 17.5 mt -77.09 -25.15 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 392' ' ' ILE . . . . . 0.602 ' C ' ' H ' ' A' ' 394' ' ' SER . 0.8 OUTLIER -83.11 -49.5 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . 0.779 ' HB3' ' CB ' ' A' ' 410' ' ' GLN . 0.1 OUTLIER -69.22 15.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 394' ' ' SER . . . . . 0.602 ' H ' ' C ' ' A' ' 392' ' ' ILE . 63.6 m -92.39 111.28 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 395' ' ' GLY . . . . . 0.53 ' HA2' ' CD1' ' A' ' 400' ' ' LEU . . . -82.21 68.31 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 396' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -106.77 -21.57 12.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 397' ' ' ARG . . . . . 0.533 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -66.48 125.66 90.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 6.56 3.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . 0.53 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . -125.81 34.93 3.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.557 ' HB3' ' OD1' ' A' ' 313' ' ' ASP . 27.7 mt -92.33 168.86 11.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.619 ' HB2' ' HB2' ' A' ' 313' ' ' ASP . 25.8 mt -108.4 -64.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . 1.102 ' O ' HD11 ' A' ' 406' ' ' ILE . 1.7 m120 -109.24 93.8 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 403' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.59 -5.81 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.54 ' N ' ' CD ' ' A' ' 405' ' ' PRO . 0.0 OUTLIER -81.87 -50.16 0.88 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . 0.75 ' CG ' ' HB3' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.0 -19.71 17.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . 1.102 HD11 ' O ' ' A' ' 402' ' ' ASN . 0.5 OUTLIER -81.14 -46.84 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -74.49 -18.48 60.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . 0.484 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 86.9 m-20 -81.75 -51.05 8.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' ILE . . . . . 0.629 ' O ' ' HG ' ' A' ' 413' ' ' LEU . 19.7 mm -61.21 -23.3 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . 0.779 ' CB ' ' HB3' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -82.65 -37.53 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.348 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.14 -23.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.8 OUTLIER -87.66 -56.36 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 409' ' ' ILE . 1.1 mt -49.68 -40.78 41.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.442 HD13 ' CG1' ' A' ' 390' ' ' VAL . 7.2 tp -62.19 -53.48 54.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 39.8 mt-30 -46.0 -47.73 16.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.585 ' HA ' HD13 ' A' ' 211' ' ' LEU . . . -54.89 -54.82 37.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . 0.735 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -41.14 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' GLU . . . . . 0.618 ' HB2' ' CD2' ' A' ' 432' ' ' PHE . 0.2 OUTLIER -52.14 -28.52 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.599 ' CD1' ' HG ' ' A' ' 211' ' ' LEU . 3.5 tt -69.16 -77.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' GLN . . . . . 0.658 ' NE2' HD21 ' A' ' 424' ' ' ASN . 0.0 OUTLIER -53.73 -8.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' A' ' 419' ' ' LEU . 0.6 OUTLIER -89.52 -46.45 8.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . 0.754 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 1.5 mmtt -79.39 6.03 11.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . 0.507 ' CD1' ' HG ' ' A' ' 419' ' ' LEU . 10.5 mt -119.08 -39.37 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.663 ' OD1' ' CD2' ' A' ' 425' ' ' HIS . 45.0 p-10 -82.6 -13.09 57.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.663 ' CD2' ' OD1' ' A' ' 424' ' ' ASN . 13.9 p80 177.33 71.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.754 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.1 Cg_endo -75.02 140.96 26.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -129.36 13.97 6.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.88 67.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 13.9 t -166.71 -142.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -113.64 30.08 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 430' ' ' GLN . 20.1 tp -37.41 -31.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' PHE . . . . . 0.711 ' CD1' HD11 ' A' ' 417' ' ' LEU . 0.2 OUTLIER -85.99 -50.3 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' ALA . . . . . 0.577 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -48.19 -21.84 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . 0.564 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.5 OUTLIER -96.91 -48.15 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 438' ' ' LYS . 0.5 OUTLIER -39.8 -37.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.572 ' CD2' ' CE1' ' A' ' 432' ' ' PHE . 2.6 pp -77.75 -45.38 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 1.0 OUTLIER -48.18 -12.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 440' ' ' THR . 0.1 OUTLIER -52.89 -22.46 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' MET . . . . . 0.651 ' HA ' ' HB2' ' A' ' 442' ' ' LEU . 0.0 OUTLIER -31.1 -33.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.586 ' N ' ' O ' ' A' ' 438' ' ' LYS . 71.8 p -35.03 -100.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.747 ' O ' ' CD1' ' A' ' 445' ' ' ILE . 0.0 OUTLIER -52.02 -22.83 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' LEU . . . . . 0.983 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 0.1 OUTLIER -64.63 -86.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 439' ' ' MET . 2.6 ttt180 -53.48 -9.7 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 440' ' ' THR . 5.0 mm-40 -70.98 -88.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.747 ' CD1' ' O ' ' A' ' 441' ' ' ASP . 0.0 OUTLIER -36.99 -46.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 447' ' ' THR . 2.5 t -48.17 -69.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' THR . . . . . 0.433 ' N ' HG13 ' A' ' 446' ' ' VAL . 14.5 t -51.2 -19.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -53.56 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' HIS . . . . . 0.507 ' CD2' HG21 ' A' ' 450' ' ' VAL . 0.0 OUTLIER -44.01 -33.95 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.603 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' VAL . . . . . 0.615 ' O ' ' N ' ' A' ' 454' ' ' GLN . 39.6 t -83.57 -51.22 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -23.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.6 ' CD1' ' CG ' ' A' ' 363' ' ' PHE . 11.0 mt -85.4 -72.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.582 ' HA ' HG23 ' A' ' 456' ' ' ILE . 0.2 OUTLIER -57.8 -16.75 12.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' GLN . . . . . 0.615 ' N ' ' O ' ' A' ' 450' ' ' VAL . 11.6 tt0 -80.07 -56.55 4.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.412 ' O ' ' CG1' ' A' ' 455' ' ' VAL . 48.3 t -70.6 -0.21 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . 0.827 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -107.22 -60.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' LYS . . . . . 0.623 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 3.1 pttt -45.41 -24.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 1.1 mmmm -99.51 -39.36 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.19 47.19 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.827 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.2 mm-40 -42.68 132.25 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' THR . . . . . 0.524 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -37.07 -30.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.369 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 461' ' ' THR . 2.1 t70 168.2 59.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' MET . . . . . 0.448 ' O ' ' CB ' ' A' ' 464' ' ' SER . 7.2 ttt 61.35 131.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 463' ' ' MET . 0.5 OUTLIER 163.76 83.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -166.23 167.13 16.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . 0.978 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 32.2 p80 -116.81 -176.0 0.35 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . 0.978 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.91 -53.42 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . 0.533 ' N ' ' HD1' ' A' ' 466' ' ' HIS . 10.3 mt -56.42 -8.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' LEU . . . . . 0.596 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 2.0 tp -87.73 -56.04 3.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.26 -29.83 67.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 467' ' ' PRO . 39.7 mt-10 -72.79 -69.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 469' ' ' LEU . 2.6 pp -37.92 -57.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' TYR . . . . . 0.635 ' C ' ' CD1' ' A' ' 473' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 210' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 213' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.589 ' CD1' ' HA ' ' A' ' 416' ' ' ALA . 0.1 OUTLIER -40.14 -54.37 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 212' ' ' ARG . . . . . 0.467 ' NH1' ' HB2' ' A' ' 420' ' ' GLN . 3.0 tpm_? -73.8 -27.15 60.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 210' ' ' ASP . . . -67.54 -57.06 7.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 214' ' ' LEU . . . . . 0.494 ' O ' ' HB3' ' A' ' 217' ' ' HIS . 0.5 OUTLIER -46.43 -45.87 18.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -46.61 -61.68 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . 0.564 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -45.43 -32.1 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 217' ' ' HIS . . . . . 0.6 ' HA ' ' HB2' ' A' ' 220' ' ' ASP . 57.0 t60 -71.69 -67.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.633 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.827 ' O ' ' HB2' ' A' ' 222' ' ' TYR . 2.9 mt -38.46 -57.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 219' ' ' TYR . . . . . 0.631 ' CD2' ' CB ' ' A' ' 385' ' ' ALA . 4.7 t80 -67.88 -27.59 66.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . 0.6 ' HB2' ' HA ' ' A' ' 217' ' ' HIS . 0.4 OUTLIER -60.09 -74.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 221' ' ' SER . . . . . 0.588 ' CB ' ' HB3' ' A' ' 302' ' ' SER . 13.3 t -54.89 -25.36 28.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 222' ' ' TYR . . . . . 0.87 ' CD1' ' CD2' ' A' ' 299' ' ' TYR . 0.7 OUTLIER -78.1 -47.02 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 223' ' ' ILE . . . . . 0.657 ' CD1' ' O ' ' A' ' 223' ' ' ILE . 0.0 OUTLIER -56.87 -12.48 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . 0.518 ' CD ' HG22 ' A' ' 223' ' ' ILE . 2.8 mptp? -95.9 -42.12 8.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 225' ' ' SER . . . . . 0.598 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 34.4 t -58.0 -80.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 226' ' ' PHE . . . . . 0.844 ' CE1' ' CE1' ' A' ' 222' ' ' TYR . 0.7 OUTLIER -112.46 110.54 52.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -30.09 7.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.637 ' O ' ' CE2' ' A' ' 226' ' ' PHE . 0.0 OUTLIER -63.69 114.35 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 229' ' ' THR . . . . . 0.517 ' HB ' ' CG ' ' A' ' 381' ' ' ASP . 34.0 p -133.34 -165.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . 0.766 ' HD3' ' CD1' ' A' ' 384' ' ' LEU . 3.4 mtmm -77.43 -24.45 50.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . 0.471 ' CB ' ' OD2' ' A' ' 381' ' ' ASP . . . -78.78 -41.43 30.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 232' ' ' LYS . . . . . 0.409 ' O ' HD12 ' A' ' 236' ' ' ILE . 0.8 OUTLIER -72.05 -42.33 66.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 233' ' ' ALA . . . . . 0.61 ' O ' ' HB2' ' A' ' 237' ' ' LEU . . . -64.69 -47.81 77.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . 0.65 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -73.13 -2.7 22.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . 0.929 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -81.25 -69.66 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.433 HG13 ' HB3' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -59.3 -38.09 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 237' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' A' ' 233' ' ' ALA . 0.1 OUTLIER -57.22 -36.25 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 238' ' ' THR . . . . . 0.648 ' O ' ' C ' ' A' ' 239' ' ' GLY . 1.1 t -152.03 -39.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . 0.929 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . 0.683 ' C ' ' HA2' ' A' ' 346' ' ' GLY . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 247' ' ' PHE . . . . . 0.742 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -1.06 71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.654 ' CG2' ' CZ ' ' A' ' 347' ' ' PHE . 8.8 p -55.35 144.25 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 249' ' ' ILE . . . . . 0.544 ' CD1' ' CZ ' ' A' ' 247' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 276' ' ' GLU . . . . . 0.599 ' OE1' ' NE ' ' A' ' 357' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 277' ' ' VAL . . . . . 0.559 ' CG1' ' CD2' ' A' ' 356' ' ' LEU . 61.4 t -39.1 -42.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 278' ' ' ALA . . . . . 0.727 ' O ' ' N ' ' A' ' 280' ' ' ARG . . . -60.69 -81.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 0.59 ' C ' ' O ' ' A' ' 278' ' ' ALA . 0.4 OUTLIER -23.55 -39.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . 0.727 ' N ' ' O ' ' A' ' 278' ' ' ALA . 7.8 mtp180 -77.53 -64.9 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 281' ' ' ILE . . . . . 0.634 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.2 OUTLIER -62.5 -43.31 98.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 282' ' ' PHE . . . . . 0.816 ' CD1' ' CE1' ' A' ' 360' ' ' PHE . 0.1 OUTLIER -49.91 -51.32 41.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 283' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 0.0 OUTLIER -58.03 -34.43 70.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 284' ' ' GLY . . . . . 0.505 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -85.49 -53.99 2.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 285' ' ' CYS . . . . . 0.634 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.7 OUTLIER -47.9 -18.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 286' ' ' GLN . . . . . 0.505 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -110.13 -27.7 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 287' ' ' PHE . . . . . 0.661 ' CE1' ' CG ' ' A' ' 291' ' ' GLU . 11.9 t80 -51.01 -31.36 17.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -22.61 64.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 12.0 t -89.3 -56.14 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 290' ' ' VAL . . . . . 0.476 ' O ' ' CG1' ' A' ' 293' ' ' VAL . 2.8 m -54.05 -20.17 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . 0.661 ' CG ' ' CE1' ' A' ' 287' ' ' PHE . 29.4 mt-10 -83.05 -61.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . 0.678 ' CB ' HG12 ' A' ' 326' ' ' ILE . . . -33.62 -58.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 290' ' ' VAL . 2.5 p -41.93 -45.29 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 294' ' ' GLN . . . . . 0.598 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.0 mt-30 -71.5 -27.57 63.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 295' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.6 mt-10 -77.7 -56.97 4.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . 0.598 ' O ' ' N ' ' A' ' 300' ' ' ALA . 3.6 mp -41.83 -67.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 297' ' ' THR . . . . . 0.449 ' C ' ' N ' ' A' ' 299' ' ' TYR . 0.9 OUTLIER -40.22 -63.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.39 -25.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 299' ' ' TYR . . . . . 0.87 ' CD2' ' CD1' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -103.41 -55.53 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.955 ' O ' ' N ' ' A' ' 302' ' ' SER . . . -35.01 -49.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 301' ' ' LYS . . . . . 0.495 ' HA ' ' CG2' ' A' ' 307' ' ' VAL . 58.5 mttt -35.41 -8.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 302' ' ' SER . . . . . 0.955 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -68.36 -50.85 50.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 303' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -58.3 127.69 81.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 16.99 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . 0.603 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -132.3 -24.71 0.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.774 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 12.0 t80 -58.42 -60.77 3.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 0.755 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 307' ' ' VAL . . . . . 0.495 ' CG2' ' HA ' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -69.08 -20.37 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -74.03 -13.46 60.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.774 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.6 mt -68.59 -111.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 310' ' ' ASP . . . . . 0.67 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -139.71 151.84 46.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -46.19 70.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 312' ' ' ASN . . . . . 0.863 ' O ' ' N ' ' A' ' 316' ' ' THR . 3.4 m-80 -82.35 -59.66 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 313' ' ' ASP . . . . . 0.67 ' CB ' ' HB3' ' A' ' 310' ' ' ASP . 44.5 t0 -31.92 -52.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 314' ' ' GLN . . . . . 0.584 ' O ' ' HG ' ' A' ' 317' ' ' LEU . 24.0 mt-30 -59.78 -53.45 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 315' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 312' ' ' ASN . 91.2 t -71.95 -33.59 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 316' ' ' THR . . . . . 0.863 ' N ' ' O ' ' A' ' 312' ' ' ASN . 19.2 m -65.03 -54.56 28.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 317' ' ' LEU . . . . . 0.661 ' O ' ' N ' ' A' ' 321' ' ' GLY . 4.2 pp -52.8 -47.74 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 318' ' ' LEU . . . . . 0.531 ' CD2' HG23 ' A' ' 322' ' ' VAL . 0.2 OUTLIER -63.98 -43.07 96.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.36 -28.17 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 320' ' ' TYR . . . . . 0.416 ' O ' ' OD2' ' A' ' 396' ' ' ASP . 2.1 m-85 -122.08 3.5 9.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 321' ' ' GLY . . . . . 0.661 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -115.17 -48.53 0.52 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 322' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 326' ' ' ILE . 4.7 p -35.43 -31.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . 0.687 ' CD2' ' CG2' ' A' ' 446' ' ' VAL . 0.0 OUTLIER -63.13 -57.41 10.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.563 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 324' ' ' GLU . . . . . 0.656 ' N ' ' CD2' ' A' ' 323' ' ' HIS . 80.0 mt-10 -64.16 2.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 325' ' ' ILE . . . . . 0.692 ' O ' HG22 ' A' ' 328' ' ' THR . 2.3 mp -110.51 -47.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 326' ' ' ILE . . . . . 0.678 HG12 ' CB ' ' A' ' 292' ' ' ALA . 4.9 mt -74.67 -40.37 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.611 ' CD2' HG22 ' A' ' 446' ' ' VAL . 9.5 m-85 -76.02 -15.53 60.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' THR . . . . . 0.692 HG22 ' O ' ' A' ' 325' ' ' ILE . 0.7 OUTLIER -72.2 -56.8 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.453 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' MET . . . . . 0.579 ' N ' ' CG2' ' A' ' 328' ' ' THR . 7.8 ptp -89.47 -12.76 39.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.629 ' CB ' ' O ' ' A' ' 326' ' ' ILE . 1.6 mt -49.4 -53.66 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 331' ' ' ALA . . . . . 0.602 ' HA ' ' HB3' ' A' ' 371' ' ' ALA . . . -34.64 -52.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' SER . . . . . 0.65 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 6.0 m -59.75 -45.65 91.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 330' ' ' LEU . 3.7 mm? -58.72 -13.94 7.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' MET . . . . . 0.728 ' CE ' ' HB3' ' A' ' 367' ' ' LYS . 2.0 mmt -76.58 173.0 12.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' ASN . . . . . 0.697 ' O ' ' CG ' ' A' ' 335' ' ' ASN . 0.1 OUTLIER -141.46 9.55 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER 80.41 -41.32 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' ASP . . . . . 0.435 ' C ' ' H ' ' A' ' 350' ' ' ARG . 0.1 OUTLIER -125.24 10.34 8.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . 0.722 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -171.21 173.41 44.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . 0.64 ' O ' ' HB2' ' A' ' 347' ' ' PHE . 3.8 p -136.44 151.54 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.602 ' CD2' ' CB ' ' A' ' 233' ' ' ALA . 0.4 OUTLIER -69.43 124.33 23.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' ILE . . . . . 0.498 ' CG2' ' H ' ' A' ' 348' ' ' MET . 1.3 pt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . 0.742 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.654 ' CZ ' ' CG2' ' A' ' 248' ' ' VAL . 0.1 OUTLIER -177.68 138.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.498 ' H ' ' CG2' ' A' ' 341' ' ' ILE . 11.4 ttm -93.42 121.88 35.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' THR . . . . . 0.722 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 1.6 p -71.32 153.65 42.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.407 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . 0.88 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 7.8 ttm180 -63.83 -55.84 19.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 351' ' ' GLU . . . . . 0.535 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 0.0 OUTLIER -35.84 -25.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 352' ' ' PHE . . . . . 0.617 ' N ' ' O ' ' A' ' 350' ' ' ARG . 1.8 t80 -89.63 -51.47 5.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 353' ' ' LEU . . . . . 0.889 ' O ' ' O ' ' A' ' 361' ' ' GLY . 0.2 OUTLIER -67.19 -21.87 65.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 354' ' ' LYS . . . . . 0.881 ' HA ' ' O ' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -91.84 -33.62 14.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 355' ' ' SER . . . . . 0.58 ' O ' ' CD2' ' A' ' 356' ' ' LEU . 9.2 t -70.42 73.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 356' ' ' LEU . . . . . 1.002 ' HB2' ' HA2' ' A' ' 361' ' ' GLY . 0.2 OUTLIER -152.3 -152.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 357' ' ' ARG . . . . . 0.657 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -69.32 153.52 43.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 358' ' ' LYS . . . . . 0.808 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.81 -55.45 1.23 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 359' ' ' PRO . . . . . 0.808 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.4 Cg_endo -74.97 -84.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 360' ' ' PHE . . . . . 0.816 ' CE1' ' CD1' ' A' ' 282' ' ' PHE . 0.5 OUTLIER -63.55 32.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 361' ' ' GLY . . . . . 1.002 ' HA2' ' HB2' ' A' ' 356' ' ' LEU . . . -87.39 -43.34 5.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 362' ' ' ASP . . . . . 0.624 ' CA ' ' HA ' ' A' ' 354' ' ' LYS . 7.1 p-10 -148.96 96.88 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 363' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -103.25 0.06 31.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 110.983 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 364' ' ' MET . . . . . 0.537 ' HG2' ' CE1' ' A' ' 363' ' ' PHE . 0.2 OUTLIER -121.24 -5.8 9.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 365' ' ' GLU . . . . . 0.88 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 2.4 tp10 -65.12 -41.23 51.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -75.02 -24.96 12.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 367' ' ' LYS . . . . . 0.728 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 0.0 OUTLIER -76.5 -33.91 58.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 368' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 339' ' ' VAL . 6.7 m-30 -68.71 -53.94 19.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.23 -46.99 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 370' ' ' PHE . . . . . 0.685 ' CG ' ' CD1' ' A' ' 445' ' ' ILE . 2.1 m-85 -61.02 -38.23 85.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 371' ' ' ALA . . . . . 0.602 ' HB3' ' HA ' ' A' ' 331' ' ' ALA . . . -59.6 -46.19 89.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 30.7 t -67.39 -9.07 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 373' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -104.14 -27.8 11.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 374' ' ' PHE . . . . . 0.635 ' CZ ' ' CG ' ' A' ' 441' ' ' ASP . 0.1 OUTLIER -92.17 -35.6 13.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.7 -15.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . 0.487 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -84.98 31.19 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 0.8 OUTLIER -174.69 4.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 378' ' ' GLU . . . . . 0.502 ' HB3' ' HE3' ' A' ' 230' ' ' LYS . 1.8 mt-10 -78.37 134.49 37.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . 0.632 ' CD1' ' CD1' ' A' ' 435' ' ' LEU . 0.3 OUTLIER -84.69 -148.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 380' ' ' ASP . . . . . 0.471 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 54.3 p30 -110.14 148.07 32.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . 0.517 ' CG ' ' HB ' ' A' ' 229' ' ' THR . 0.5 OUTLIER -41.91 -26.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 382' ' ' SER . . . . . 0.482 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 0.1 OUTLIER -60.39 -55.87 28.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . 0.497 ' OD1' ' ND2' ' A' ' 424' ' ' ASN . 3.1 m-20 -71.91 -17.64 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . 0.766 ' CD1' ' HD3' ' A' ' 230' ' ' LYS . 6.5 mt -84.88 -49.72 8.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . 0.631 ' CB ' ' CD2' ' A' ' 219' ' ' TYR . . . -36.97 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 384' ' ' LEU . 1.8 mt -92.88 -39.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 387' ' ' PHE . . . . . 0.573 ' CE1' HG21 ' A' ' 328' ' ' THR . 26.4 t80 -41.55 -42.33 2.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 388' ' ' ILE . . . . . 0.723 HG23 ' CE2' ' A' ' 222' ' ' TYR . 12.7 tt -44.11 -61.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 410' ' ' GLN . . . -60.47 -28.23 68.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . 0.578 ' HA ' ' CD ' ' A' ' 410' ' ' GLN . 76.4 t -69.7 -14.94 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.598 HG22 ' CD1' ' A' ' 325' ' ' ILE . 2.0 mm -119.87 5.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 392' ' ' ILE . . . . . 0.721 ' C ' ' H ' ' A' ' 394' ' ' SER . 0.0 OUTLIER -116.43 -62.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . 0.875 ' CB ' ' HG3' ' A' ' 410' ' ' GLN . 0.7 OUTLIER -65.24 24.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 394' ' ' SER . . . . . 0.721 ' H ' ' C ' ' A' ' 392' ' ' ILE . 1.3 m -121.91 144.92 48.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 395' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 396' ' ' ASP . . . -64.63 63.47 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 396' ' ' ASP . . . . . 0.618 ' C ' ' HE ' ' A' ' 397' ' ' ARG . 1.0 OUTLIER -36.0 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 397' ' ' ARG . . . . . 0.806 ' CB ' ' CD ' ' A' ' 398' ' ' PRO . 0.0 OUTLIER -149.36 -165.16 0.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . 0.806 ' CD ' ' CB ' ' A' ' 397' ' ' ARG . 18.2 Cg_endo -75.01 40.29 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . 0.651 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . -127.18 55.02 0.76 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.592 ' HB3' ' OD1' ' A' ' 313' ' ' ASP . 0.2 OUTLIER -148.74 -177.4 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.601 ' CD1' ' HB2' ' A' ' 312' ' ' ASN . 14.6 mt -125.01 -58.14 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . 0.744 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 1.8 m120 -106.66 84.39 2.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 403' ' ' VAL . . . . . 0.567 ' HA ' HD11 ' A' ' 406' ' ' ILE . 1.2 t -76.13 -16.75 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.708 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.5 OUTLIER -67.78 -52.75 24.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . 0.744 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -74.99 -17.83 19.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . 0.736 HG13 ' O ' ' A' ' 402' ' ' ASN . 68.6 mt -69.04 -85.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' GLU . . . . . 0.514 ' N ' HG21 ' A' ' 406' ' ' ILE . 3.6 tt0 -49.08 -18.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . 0.708 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 16.3 m-20 -76.28 -62.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' ILE . . . . . 0.719 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 20.1 mm -52.6 -27.95 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . 0.875 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -71.17 -42.12 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 410' ' ' GLN . 7.4 t70 -35.34 -33.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 410' ' ' GLN . 1.6 t30 -87.29 -50.17 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 409' ' ' ILE . 1.2 mt -55.92 -40.11 72.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.604 HD22 ' CD2' ' A' ' 432' ' ' PHE . 0.7 OUTLIER -60.66 -47.27 86.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.513 ' O ' ' HB2' ' A' ' 419' ' ' LEU . 41.1 mt-30 -52.36 -66.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.589 ' HA ' ' CD1' ' A' ' 211' ' ' LEU . . . -44.85 -45.43 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . 0.69 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -49.0 -80.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' GLU . . . . . 0.566 ' HB3' ' CG ' ' A' ' 432' ' ' PHE . 0.2 OUTLIER -54.75 -25.33 27.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.553 ' HG ' ' CD1' ' A' ' 423' ' ' LEU . 0.6 OUTLIER -67.93 -77.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' GLN . . . . . 0.588 HE21 ' ND2' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -43.85 -28.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 425' ' ' HIS . 0.0 OUTLIER -83.02 -41.37 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . 0.66 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 6.1 ttmt -78.58 8.38 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . 0.553 ' CD1' ' HG ' ' A' ' 419' ' ' LEU . 17.5 mt -120.04 -43.96 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.662 ' OD1' ' CD2' ' A' ' 425' ' ' HIS . 49.4 p-10 -78.64 -12.82 60.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.662 ' CD2' ' OD1' ' A' ' 424' ' ' ASN . 28.3 p80 174.93 74.63 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.605 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.66 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.99 162.82 36.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -141.15 -85.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' SER . . . . . 0.472 ' O ' ' CE ' ' A' ' 422' ' ' LYS . 0.1 OUTLIER -120.67 -157.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' SER . . . . . 0.46 ' C ' ' N ' ' A' ' 431' ' ' LEU . 0.6 OUTLIER -92.58 155.54 17.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 110.011 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 433' ' ' ALA . 0.0 OUTLIER 42.55 23.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.255 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . 0.46 ' N ' ' C ' ' A' ' 429' ' ' SER . 0.0 OUTLIER -42.93 -27.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' PHE . . . . . 0.604 ' CD2' HD22 ' A' ' 414' ' ' LEU . 34.0 p90 -86.92 -38.95 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -45.84 -27.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . 0.531 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.0 OUTLIER -99.45 -47.26 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' LEU . . . . . 0.632 ' CD1' ' CD1' ' A' ' 379' ' ' LEU . 0.3 OUTLIER -47.14 -33.95 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.531 ' C ' ' H ' ' A' ' 438' ' ' LYS . 4.2 pp -75.49 -45.76 36.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 2.4 mt-30 -48.61 -11.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.569 ' O ' ' N ' ' A' ' 440' ' ' THR . 0.0 OUTLIER -49.39 -25.73 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' MET . . . . . 0.619 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -24.18 -44.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 438' ' ' LYS . 64.1 p -33.85 -78.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.382 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.757 ' O ' HG13 ' A' ' 445' ' ' ILE . 0.0 OUTLIER -57.75 -21.66 42.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' LEU . . . . . 0.58 ' CD1' ' HB2' ' A' ' 327' ' ' TYR . 0.2 OUTLIER -72.85 -73.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 439' ' ' MET . 0.1 OUTLIER -57.24 -10.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 440' ' ' THR . 2.3 mm100 -74.75 -71.04 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.757 HG13 ' O ' ' A' ' 441' ' ' ASP . 0.1 OUTLIER -50.01 -29.88 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.687 ' CG2' ' CD2' ' A' ' 323' ' ' HIS . 26.3 t -67.86 -65.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' THR . . . . . 0.439 HG23 ' HA ' ' A' ' 444' ' ' GLN . 9.0 t -47.74 -23.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -53.18 6.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' HIS . . . . . 0.586 ' HB2' ' CD2' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -48.63 -28.14 3.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' VAL . . . . . 0.691 ' O ' ' N ' ' A' ' 454' ' ' GLN . 34.1 t -86.53 -50.64 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' GLN . . . . . 0.405 ' O ' ' CG2' ' A' ' 455' ' ' VAL . 0.3 OUTLIER -42.99 -26.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 450' ' ' VAL . 8.3 mt -87.69 -68.09 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.598 ' HB2' ' CZ ' ' A' ' 360' ' ' PHE . 1.3 pp -59.9 -14.44 15.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' GLN . . . . . 0.691 ' N ' ' O ' ' A' ' 450' ' ' VAL . 2.0 tt0 -85.03 -48.87 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 451' ' ' GLN . 75.6 t -73.02 -6.0 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . 1.015 ' O ' ' N ' ' A' ' 460' ' ' GLU . 1.4 tp -102.84 -61.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' LYS . . . . . 0.646 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 0.1 OUTLIER -41.37 -37.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 8.8 mmmt -83.82 -41.52 17.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' THR . . . . . 0.52 ' O ' ' CG2' ' A' ' 459' ' ' THR . 2.2 m -124.18 43.36 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.38 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 1.015 ' N ' ' O ' ' A' ' 456' ' ' ILE . 8.6 mm-40 -41.78 131.29 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -39.96 -28.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 460' ' ' GLU . 2.0 t70 173.25 68.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 56.2 tpp 62.15 145.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 460' ' ' GLU . 46.3 t -158.5 151.7 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.624 HD12 ' CD2' ' A' ' 466' ' ' HIS . 0.2 OUTLIER 38.28 -117.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . 0.907 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 10.2 p80 -162.51 -175.58 0.5 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . 0.907 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.2 Cg_endo -75.01 -47.91 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . 0.636 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 0.7 OUTLIER -44.07 -19.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' LEU . . . . . 0.515 ' N ' ' C ' ' A' ' 467' ' ' PRO . 0.1 OUTLIER -87.59 -57.2 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -48.32 -27.79 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -75.36 -50.89 14.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 0.9 OUTLIER -48.18 -59.41 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' TYR . . . . . 0.534 ' CE2' ' HE3' ' A' ' 457' ' ' LYS . 1.9 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 210' ' ' ASP . . . . . 0.641 ' HA ' ' HB2' ' A' ' 213' ' ' ALA . 7.6 p30 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.703 ' CD1' ' C ' ' A' ' 211' ' ' LEU . 0.1 OUTLIER -46.92 -77.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 212' ' ' ARG . . . . . 0.498 ' NH1' HD12 ' A' ' 211' ' ' LEU . 0.0 OUTLIER -75.03 -23.23 58.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . 0.641 ' HB2' ' HA ' ' A' ' 210' ' ' ASP . . . -74.07 -78.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 214' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 218' ' ' LEU . 15.9 tp -44.22 -47.48 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 215' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 211' ' ' LEU . . . -43.85 -71.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . 0.522 ' HE2' ' CA ' ' A' ' 216' ' ' LYS . 0.0 OUTLIER -37.51 -33.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 217' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 215' ' ' ALA . 28.9 t60 -85.05 -69.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.703 ' O ' ' HB2' ' A' ' 222' ' ' TYR . 0.3 OUTLIER -38.71 -50.65 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 219' ' ' TYR . . . . . 0.998 ' CE2' ' HA ' ' A' ' 382' ' ' SER . 10.9 m-85 -68.3 -40.04 81.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . 0.515 ' O ' ' CD ' ' A' ' 224' ' ' LYS . 3.6 m-20 -56.66 -72.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 221' ' ' SER . . . . . 0.71 ' OG ' ' CD1' ' A' ' 299' ' ' TYR . 78.4 p -53.67 -24.53 14.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.093 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 222' ' ' TYR . . . . . 0.859 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 29.2 t80 -77.49 -52.06 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 223' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 223' ' ' ILE . 1.3 mp -48.66 -13.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . 0.522 ' N ' ' C ' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -97.24 -47.27 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 225' ' ' SER . . . . . 0.99 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 9.5 t -43.57 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 226' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.2 120.03 25.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 227' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.1 Cg_endo -75.02 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.72 73.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 229' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 227' ' ' PRO . 7.1 p -83.08 -164.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -72.12 -28.19 63.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -77.29 -41.57 40.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 232' ' ' LYS . . . . . 0.501 ' O ' ' CD1' ' A' ' 236' ' ' ILE . 2.1 mttm -72.99 -39.59 65.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 233' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 237' ' ' LEU . . . -67.68 -46.89 71.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . 0.697 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -75.21 -1.58 23.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . 0.938 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -82.11 -65.22 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.621 ' HB ' ' HB3' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -63.41 -42.99 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 237' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 233' ' ' ALA . 0.1 OUTLIER -47.89 -26.61 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 238' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.32 -28.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.425 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . 0.938 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . 0.704 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.978 -0.431 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 247' ' ' PHE . . . . . 0.727 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -7.6 73.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.704 ' N ' ' O ' ' A' ' 246' ' ' PRO . 7.3 p -57.23 106.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 249' ' ' ILE . . . . . 0.511 HG22 ' CG ' ' A' ' 348' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 276' ' ' GLU . . . . . 0.639 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 277' ' ' VAL . . . . . 0.497 ' N ' ' HG3' ' A' ' 276' ' ' GLU . 4.1 t -42.08 -43.96 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 278' ' ' ALA . . . . . 0.671 ' O ' ' C ' ' A' ' 279' ' ' ILE . . . -70.06 -78.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 0.671 ' C ' ' O ' ' A' ' 278' ' ' ALA . 2.7 mm -13.19 -60.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -62.51 -65.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 281' ' ' ILE . . . . . 0.568 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.2 OUTLIER -59.23 -56.54 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 282' ' ' PHE . . . . . 0.822 ' CD1' ' CD2' ' A' ' 360' ' ' PHE . 79.1 t80 -42.1 -46.05 4.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 283' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 0.7 OUTLIER -60.13 -37.64 80.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.259 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 284' ' ' GLY . . . . . 0.454 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -83.13 -55.34 2.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 285' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.5 OUTLIER -53.56 -15.84 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 286' ' ' GLN . . . . . 0.454 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.2 OUTLIER -108.93 -26.09 10.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 287' ' ' PHE . . . . . 0.54 ' CE2' ' CD ' ' A' ' 291' ' ' GLU . 54.5 t80 -47.56 -48.01 28.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -22.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 289' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 287' ' ' PHE . 2.8 t -84.06 -55.31 4.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 290' ' ' VAL . . . . . 0.425 HG22 ' N ' ' A' ' 291' ' ' GLU . 2.7 m -49.76 -25.86 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' A' ' 294' ' ' GLN . 51.6 mt-10 -76.91 -60.41 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . 0.635 ' O ' ' N ' ' A' ' 295' ' ' GLU . . . -34.59 -56.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 79.8 t -39.81 -44.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 294' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.6 -26.86 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.257 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 295' ' ' GLU . . . . . 0.635 ' N ' ' O ' ' A' ' 292' ' ' ALA . 7.5 mt-10 -76.56 -49.4 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . 0.778 ' O ' ' N ' ' A' ' 300' ' ' ALA . 3.9 mp -50.04 -68.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.362 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 297' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 296' ' ' ILE . 0.9 OUTLIER -36.49 -63.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.01 -26.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 299' ' ' TYR . . . . . 0.99 ' HB2' ' HB2' ' A' ' 225' ' ' SER . 1.0 OUTLIER -106.34 -32.91 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 110.966 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.778 ' N ' ' O ' ' A' ' 296' ' ' ILE . . . -59.82 -58.92 6.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 301' ' ' LYS . . . . . 0.44 ' HA ' HG22 ' A' ' 307' ' ' VAL . 82.6 mttt -49.81 -5.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 302' ' ' SER . . . . . 0.675 ' HB3' ' O ' ' A' ' 299' ' ' TYR . 6.6 p -68.69 -52.47 30.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 303' ' ' ILE . . . . . 0.776 HG13 ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -51.44 129.77 33.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 304' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.3 Cg_endo -74.99 15.76 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . 0.518 ' HA3' ' CD1' ' A' ' 409' ' ' ILE . . . -131.16 -23.1 0.95 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.736 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 79.1 t80 -64.63 -53.86 40.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 307' ' ' VAL . . . . . 0.44 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -70.24 -18.79 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -77.67 -12.73 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.745 ' HB2' ' HG3' ' A' ' 314' ' ' GLN . 5.4 mt -69.7 -110.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 310' ' ' ASP . . . . . 0.669 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.5 t70 -150.71 155.58 39.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . 0.403 ' HG ' ' OD1' ' A' ' 310' ' ' ASP . 0.2 OUTLIER -53.92 -48.98 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 312' ' ' ASN . . . . . 0.547 ' HB2' ' CD1' ' A' ' 401' ' ' LEU . 64.5 m-80 -80.84 -54.72 5.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 313' ' ' ASP . . . . . 0.669 ' CB ' ' HB3' ' A' ' 310' ' ' ASP . 34.3 t0 -40.2 -47.49 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 314' ' ' GLN . . . . . 0.745 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 19.4 mt-30 -61.88 -51.34 68.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.35 -47.6 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 316' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 399' ' ' GLY . 24.9 m -43.75 -65.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 317' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -46.22 -51.75 13.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 318' ' ' LEU . . . . . 0.558 ' CD2' HG23 ' A' ' 322' ' ' VAL . 0.3 OUTLIER -56.8 -53.13 61.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 319' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 318' ' ' LEU . 0.7 OUTLIER -35.24 -41.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 320' ' ' TYR . . . . . 0.502 ' CB ' ' HG3' ' A' ' 397' ' ' ARG . 0.1 OUTLIER -118.95 6.51 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 321' ' ' GLY . . . . . 0.732 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -103.73 -50.71 1.01 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 322' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 326' ' ' ILE . 4.0 t -44.84 -25.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . 0.543 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 23.8 m170 -70.82 -49.4 46.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 324' ' ' GLU . . . . . 0.832 ' O ' ' HB ' ' A' ' 328' ' ' THR . 7.6 mt-10 -72.03 2.81 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 325' ' ' ILE . . . . . 0.706 ' O ' HG21 ' A' ' 328' ' ' THR . 0.7 OUTLIER -106.56 -46.79 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 326' ' ' ILE . . . . . 0.665 ' O ' ' HB2' ' A' ' 330' ' ' LEU . 15.1 mt -77.03 -38.27 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 323' ' ' HIS . 5.7 m-30 -76.94 -26.09 53.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' THR . . . . . 0.832 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 3.9 t -71.38 -57.78 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' MET . . . . . 0.685 ' N ' HG22 ' A' ' 328' ' ' THR . 17.2 ptt? -74.81 -25.08 58.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.688 ' O ' ' HG2' ' A' ' 334' ' ' MET . 1.3 mt -47.51 -56.72 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 331' ' ' ALA . . . . . 0.633 ' HB1' ' CE2' ' A' ' 370' ' ' PHE . . . -31.58 -57.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' SER . . . . . 0.697 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 64.1 m -56.58 -46.59 80.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . 0.598 ' N ' ' O ' ' A' ' 330' ' ' LEU . 0.6 OUTLIER -64.8 -13.52 55.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' MET . . . . . 0.688 ' HG2' ' O ' ' A' ' 330' ' ' LEU . 2.5 mmt -76.23 173.23 11.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' ASN . . . . . 0.674 ' O ' ' CG ' ' A' ' 335' ' ' ASN . 0.1 OUTLIER -140.96 8.81 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER 81.65 -41.37 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' A' ' 349' ' ' THR . 0.3 OUTLIER -126.63 10.53 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . 0.697 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -171.3 174.04 44.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . 0.735 ' O ' HG22 ' A' ' 341' ' ' ILE . 2.7 p -143.37 154.56 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 333' ' ' LEU . 1.2 mm? -65.68 121.96 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' ILE . . . . . 0.735 HG22 ' O ' ' A' ' 339' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . 0.727 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.712 ' O ' ' CD1' ' A' ' 347' ' ' PHE . 0.2 OUTLIER -170.29 123.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 110.973 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.511 ' CG ' HG22 ' A' ' 249' ' ' ILE . 2.2 mtp -81.4 115.4 20.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' THR . . . . . 0.697 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 2.2 p -61.1 150.25 34.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.391 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . 0.864 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 8.9 ttm180 -65.31 -53.16 47.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 351' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 355' ' ' SER . 11.3 pt-20 -41.88 -22.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 352' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 350' ' ' ARG . 1.0 OUTLIER -88.77 -67.2 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 353' ' ' LEU . . . . . 0.597 ' O ' ' CD2' ' A' ' 356' ' ' LEU . 0.4 OUTLIER -50.13 -51.94 39.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 354' ' ' LYS . . . . . 0.596 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.0 OUTLIER -61.84 -37.85 86.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 355' ' ' SER . . . . . 0.558 ' O ' ' CD2' ' A' ' 356' ' ' LEU . 0.6 OUTLIER -53.61 80.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 356' ' ' LEU . . . . . 0.627 ' CD1' ' HA2' ' A' ' 361' ' ' GLY . 0.0 OUTLIER 177.38 -161.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 357' ' ' ARG . . . . . 0.639 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.0 OUTLIER -30.68 145.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 358' ' ' LYS . . . . . 0.85 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -44.48 -57.97 5.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 359' ' ' PRO . . . . . 0.85 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.06 -75.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 360' ' ' PHE . . . . . 0.822 ' CD2' ' CD1' ' A' ' 282' ' ' PHE . 13.6 m-85 -46.78 -16.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 361' ' ' GLY . . . . . 0.627 ' HA2' ' CD1' ' A' ' 356' ' ' LEU . . . -101.07 38.57 3.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.43 1.082 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 362' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 362' ' ' ASP . 0.5 OUTLIER 178.52 55.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 0.772 . . . . 0.0 109.356 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 363' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 360' ' ' PHE . 3.9 m-85 -104.34 -11.41 17.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 364' ' ' MET . . . . . 0.455 ' HB2' ' CD1' ' A' ' 353' ' ' LEU . 0.0 OUTLIER -120.34 -5.82 9.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 365' ' ' GLU . . . . . 0.864 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 4.3 tp10 -67.44 -38.74 16.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.2 Cg_endo -75.0 -26.4 10.95 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 367' ' ' LYS . . . . . 0.649 ' HB2' ' CE ' ' A' ' 334' ' ' MET . 15.2 mttp -75.48 -49.29 19.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 368' ' ' PHE . . . . . 0.755 ' CE2' ' HB2' ' A' ' 350' ' ' ARG . 5.0 m-30 -56.08 -47.77 77.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . 0.468 ' O ' ' CG1' ' A' ' 372' ' ' VAL . 0.8 OUTLIER -59.58 -46.56 88.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 370' ' ' PHE . . . . . 0.633 ' CE2' ' HB1' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -61.53 -31.71 71.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 371' ' ' ALA . . . . . 0.589 ' HB3' ' CA ' ' A' ' 331' ' ' ALA . . . -66.4 -51.8 53.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 372' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 369' ' ' GLU . 3.5 p -50.99 -20.18 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 373' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -99.99 -25.03 14.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 374' ' ' PHE . . . . . 0.559 ' CG ' ' CE1' ' A' ' 370' ' ' PHE . 0.1 OUTLIER -84.81 -40.45 17.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 371' ' ' ALA . 4.8 m120 -57.02 -14.09 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -89.02 32.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 1.2 pp -169.56 5.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 378' ' ' GLU . . . . . 0.413 ' CD ' ' OG ' ' A' ' 332' ' ' SER . 3.1 mm-40 -69.07 162.34 27.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 377' ' ' LEU . 3.6 mm? -134.35 -101.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 380' ' ' ASP . . . . . 0.91 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 3.2 p30 -139.52 153.3 47.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . 0.483 ' CG ' ' HB ' ' A' ' 229' ' ' THR . 62.3 m-20 -53.43 -11.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 382' ' ' SER . . . . . 0.998 ' HA ' ' CE2' ' A' ' 219' ' ' TYR . 0.3 OUTLIER -72.67 -68.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.04 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . 0.476 ' OD1' ' ND2' ' A' ' 424' ' ' ASN . 0.7 OUTLIER -57.63 -24.04 54.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . 0.925 ' O ' ' HD1' ' A' ' 387' ' ' PHE . 10.2 mt -80.18 -67.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . 0.605 ' C ' ' O ' ' A' ' 384' ' ' LEU . . . -23.01 -38.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.776 ' N ' ' O ' ' A' ' 384' ' ' LEU . 5.7 mt -81.69 -54.93 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 387' ' ' PHE . . . . . 0.925 ' HD1' ' O ' ' A' ' 384' ' ' LEU . 0.1 OUTLIER -37.8 -26.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 388' ' ' ILE . . . . . 0.805 ' N ' ' CD1' ' A' ' 387' ' ' PHE . 0.0 OUTLIER -59.57 -55.01 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . 0.554 ' N ' ' CG2' ' A' ' 388' ' ' ILE . . . -60.43 -37.7 81.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . 0.714 ' O ' ' NE2' ' A' ' 410' ' ' GLN . 7.0 t -61.24 -13.84 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.594 ' CG2' ' CD1' ' A' ' 325' ' ' ILE . 19.8 mm -107.44 -18.94 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 392' ' ' ILE . . . . . 0.48 ' CG2' HD23 ' A' ' 393' ' ' LEU . 91.4 mt -69.79 -76.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . 0.799 ' HB2' ' HG3' ' A' ' 410' ' ' GLN . 0.0 OUTLIER -64.29 91.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 394' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 396' ' ' ASP . 51.9 m -110.48 81.21 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 395' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 406' ' ' ILE . . . -59.33 72.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 396' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 394' ' ' SER . 5.6 p-10 -177.77 -22.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 397' ' ' ARG . . . . . 0.51 ' NH2' ' OG ' ' A' ' 394' ' ' SER . 0.0 OUTLIER -49.6 147.59 5.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.29 8.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . 0.522 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . 93.02 36.28 6.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.518 HD12 ' CG2' ' A' ' 403' ' ' VAL . 15.7 mt -92.45 150.98 20.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.547 ' CD1' ' HB2' ' A' ' 312' ' ' ASN . 15.5 mt -100.78 -73.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . 1.279 ' O ' ' CD1' ' A' ' 406' ' ' ILE . 4.3 m120 -105.71 79.54 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 403' ' ' VAL . . . . . 0.534 ' HA ' HD11 ' A' ' 406' ' ' ILE . 0.9 OUTLIER -67.72 -3.95 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.664 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 6.2 mtmt -77.53 -45.01 2.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . 1.266 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -20.18 17.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . 1.279 ' CD1' ' O ' ' A' ' 402' ' ' ASN . 4.0 mp -72.2 -56.82 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.74 -10.33 59.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . 0.664 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 59.7 m-20 -87.64 -45.88 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' ILE . . . . . 0.713 ' CG2' ' CD1' ' A' ' 393' ' ' LEU . 33.6 mm -72.67 -27.7 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . 0.799 ' HG3' ' HB2' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -77.56 -38.34 48.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.37 -25.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.83 -50.35 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 409' ' ' ILE . 2.3 mt -52.91 -41.67 64.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.491 ' HA ' ' CG2' ' A' ' 390' ' ' VAL . 0.1 OUTLIER -62.02 -49.54 75.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.525 ' O ' ' HB3' ' A' ' 419' ' ' LEU . 45.3 mt-30 -48.72 -51.87 26.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.561 ' HA ' ' HB3' ' A' ' 419' ' ' LEU . . . -55.1 -50.22 69.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . 0.676 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -43.56 -78.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' GLU . . . . . 0.664 ' HB3' ' CG ' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -53.68 -24.33 14.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.624 HD21 ' CD2' ' A' ' 211' ' ' LEU . 0.0 OUTLIER -67.49 -81.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' GLN . . . . . 0.659 ' O ' ' CG ' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -56.46 -11.95 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.517 ' CB ' ' O ' ' A' ' 417' ' ' LEU . 0.5 OUTLIER -88.52 -57.26 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 0.0 OUTLIER -80.83 15.33 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . 0.517 HD11 ' CD2' ' A' ' 211' ' ' LEU . 28.4 mt -125.89 -32.94 2.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.659 ' CG ' ' O ' ' A' ' 420' ' ' GLN . 31.6 p-10 -92.85 -11.78 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.505 ' CG ' ' OD1' ' A' ' 424' ' ' ASN . 3.5 p80 177.34 67.4 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.639 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.557 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.1 Cg_endo -75.05 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 0.0 110.979 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.01 -76.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -170.65 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' SER . . . . . 0.406 ' HB2' ' NE2' ' A' ' 430' ' ' GLN . 37.5 m -92.62 -36.11 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -126.91 24.37 6.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 430' ' ' GLN . 1.7 tm? -38.53 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' PHE . . . . . 0.664 ' CG ' ' HB3' ' A' ' 418' ' ' GLU . 0.1 OUTLIER -85.29 -47.85 9.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' ALA . . . . . 0.624 ' N ' ' CG ' ' A' ' 432' ' ' PHE . . . -41.57 -27.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . 0.573 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.0 OUTLIER -97.25 -49.18 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' LEU . . . . . 0.49 ' O ' ' HB2' ' A' ' 438' ' ' LYS . 0.5 OUTLIER -39.02 -39.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.645 HD21 ' CD1' ' A' ' 432' ' ' PHE . 1.9 pp -75.18 -47.34 28.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 1.3 mm100 -46.14 -14.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.525 ' N ' ' C ' ' A' ' 436' ' ' LEU . 0.0 OUTLIER -47.1 -29.78 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' MET . . . . . 0.66 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.36 -43.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.2 OUTLIER -34.3 -76.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.589 ' O ' HG13 ' A' ' 445' ' ' ILE . 28.6 m-20 -52.08 -25.91 9.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 439' ' ' MET . 0.5 OUTLIER -76.42 -75.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' ARG . . . . . 0.66 ' N ' ' O ' ' A' ' 439' ' ' MET . 18.3 ttt180 -52.63 -19.67 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 440' ' ' THR . 31.6 mm-40 -72.16 -68.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 441' ' ' ASP . 0.9 OUTLIER -45.63 -28.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.44 ' C ' ' N ' ' A' ' 448' ' ' GLU . 41.3 t -65.72 -73.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 5.0 t -42.14 -26.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 446' ' ' VAL . 10.1 mm-40 -86.85 -55.55 3.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' HIS . . . . . 0.47 ' CD2' ' HE3' ' A' ' 367' ' ' LYS . 60.1 t-80 -51.37 -19.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.528 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' VAL . . . . . 0.669 ' O ' ' N ' ' A' ' 454' ' ' GLN . 4.0 t -92.79 -48.07 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' GLN . . . . . 0.417 ' O ' ' CG2' ' A' ' 455' ' ' VAL . 15.7 mt-30 -52.24 -19.99 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -94.39 -56.79 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.687 ' C ' ' CD1' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -69.78 -12.83 61.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' GLN . . . . . 0.695 ' O ' ' HG3' ' A' ' 458' ' ' LYS . 2.5 tt0 -92.99 -42.23 9.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.427 ' O ' ' HB ' ' A' ' 459' ' ' THR . 4.1 t -68.17 -17.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . 0.715 ' O ' ' N ' ' A' ' 460' ' ' GLU . 10.5 pt -98.91 -48.81 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' LYS . . . . . 0.56 ' HG3' ' CD2' ' A' ' 453' ' ' LEU . 0.3 OUTLIER -54.67 -19.09 5.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' LYS . . . . . 0.695 ' HG3' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -110.86 -22.99 11.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' THR . . . . . 0.56 ' O ' ' CG2' ' A' ' 459' ' ' THR . 1.3 m -146.98 53.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.382 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.715 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.3 OUTLIER -57.4 170.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -63.2 -26.22 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.7 OUTLIER 170.57 53.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 4.3 ttm 59.79 156.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 13.4 t -178.16 153.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.593 HD13 ' CD2' ' A' ' 466' ' ' HIS . 0.2 OUTLIER 72.35 -124.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . 1.012 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 11.0 p80 -159.7 -174.79 0.45 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.563 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . 1.012 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 2.9 mt -43.51 -19.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 467' ' ' PRO . 0.0 OUTLIER -91.55 -51.32 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.429 ' HB2' ' NZ ' ' A' ' 457' ' ' LYS . 0.9 OUTLIER -58.35 -29.69 66.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -74.0 -68.45 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 469' ' ' LEU . 2.3 pp -42.11 -60.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' TYR . . . . . 0.448 ' CZ ' HD12 ' A' ' 453' ' ' LEU . 1.4 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 210' ' ' ASP . . . . . 0.572 ' HA ' ' HB1' ' A' ' 213' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.595 ' CD1' ' HA ' ' A' ' 416' ' ' ALA . 0.1 OUTLIER -60.69 -53.46 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 212' ' ' ARG . . . . . 0.436 ' NH1' ' HA ' ' A' ' 420' ' ' GLN . 2.3 tpm_? -77.91 -28.58 49.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . 0.572 ' HB1' ' HA ' ' A' ' 210' ' ' ASP . . . -71.17 -55.59 7.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 214' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 217' ' ' HIS . 0.5 OUTLIER -50.79 -44.45 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -48.22 -59.75 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -47.12 -33.05 4.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 217' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 68.1 t60 -73.25 -73.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.595 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.896 ' O ' ' HB2' ' A' ' 222' ' ' TYR . 7.7 mp -37.89 -58.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 219' ' ' TYR . . . . . 0.719 ' CE1' ' CD1' ' A' ' 223' ' ' ILE . 92.8 t80 -58.14 -40.49 81.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 2.4 m-20 -58.41 -63.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 221' ' ' SER . . . . . 1.263 ' O ' ' CD2' ' A' ' 299' ' ' TYR . 0.0 OUTLIER -71.21 6.75 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.032 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 222' ' ' TYR . . . . . 0.896 ' HB2' ' O ' ' A' ' 218' ' ' LEU . 0.1 OUTLIER -113.72 -54.06 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 223' ' ' ILE . . . . . 0.719 ' CD1' ' CE1' ' A' ' 219' ' ' TYR . 1.4 tp -48.47 -19.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . 0.894 ' HB2' ' CE2' ' A' ' 299' ' ' TYR . 0.7 OUTLIER -94.92 -44.51 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 225' ' ' SER . . . . . 0.722 ' HB2' ' HD2' ' A' ' 299' ' ' TYR . 33.3 t -38.41 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 226' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.88 122.09 86.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.4 2.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.434 ' CD1' HD12 ' A' ' 333' ' ' LEU . 0.2 OUTLIER -95.14 117.56 30.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 229' ' ' THR . . . . . 0.578 ' O ' ' CB ' ' A' ' 233' ' ' ALA . 55.6 p -131.76 -165.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 332' ' ' SER . 0.0 OUTLIER -77.93 -37.28 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . 0.596 ' O ' ' CB ' ' A' ' 235' ' ' ALA . . . -70.62 -20.51 62.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 232' ' ' LYS . . . . . 0.502 ' HA ' ' HB1' ' A' ' 235' ' ' ALA . 0.6 OUTLIER -102.06 -39.6 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 233' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 229' ' ' THR . . . -66.85 -53.97 27.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . 0.67 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.2 OUTLIER -75.59 -15.08 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . 0.809 ' O ' ' C ' ' A' ' 239' ' ' GLY . . . -60.84 -59.61 5.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -73.04 -39.16 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 237' ' ' LEU . . . . . 0.575 ' CD2' ' NH1' ' A' ' 234' ' ' ARG . 0.7 OUTLIER -52.45 -17.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 238' ' ' THR . . . . . 0.546 ' CB ' ' O ' ' A' ' 237' ' ' LEU . 0.1 OUTLIER 162.61 -10.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . 0.809 ' C ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . 0.842 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 247' ' ' PHE . . . . . 0.655 ' N ' ' HA2' ' A' ' 346' ' ' GLY . 0.1 OUTLIER -46.85 67.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.842 ' N ' ' O ' ' A' ' 246' ' ' PRO . 15.0 p -43.31 147.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 249' ' ' ILE . . . . . 0.469 ' O ' HG22 ' A' ' 349' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 276' ' ' GLU . . . . . 0.678 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 277' ' ' VAL . . . . . 0.517 ' N ' ' HG3' ' A' ' 276' ' ' GLU . 3.3 t -64.99 -11.94 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 278' ' ' ALA . . . . . 0.825 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -90.2 -63.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 278' ' ' ALA . 0.5 OUTLIER -36.78 -36.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . 0.632 ' CG ' ' N ' ' A' ' 281' ' ' ILE . 2.9 ptt180 -77.76 -51.5 10.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 281' ' ' ILE . . . . . 0.748 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.1 OUTLIER -78.14 -49.85 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 282' ' ' PHE . . . . . 0.825 ' N ' ' O ' ' A' ' 278' ' ' ALA . 2.7 t80 -48.79 -44.61 39.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 283' ' ' GLN . . . . . 0.542 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 29.6 mt-30 -69.33 -37.64 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 284' ' ' GLY . . . . . 0.461 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -82.81 -57.13 2.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 285' ' ' CYS . . . . . 0.748 ' N ' ' O ' ' A' ' 281' ' ' ILE . 11.2 m -52.96 -17.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 286' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 58.2 tp60 -106.3 -25.12 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 287' ' ' PHE . . . . . 0.572 ' CD2' ' OE1' ' A' ' 291' ' ' GLU . 12.8 t80 -52.93 -31.46 40.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -61.29 -22.2 64.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 289' ' ' SER . . . . . 0.509 ' HA ' ' CG2' ' A' ' 326' ' ' ILE . 26.3 t -88.04 -57.18 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.037 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 290' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 294' ' ' GLN . 2.8 m -51.75 -26.83 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . 0.572 ' OE1' ' CD2' ' A' ' 287' ' ' PHE . 28.9 mt-10 -77.06 -63.25 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . 0.584 ' CB ' HG12 ' A' ' 326' ' ' ILE . . . -34.2 -58.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . 0.524 ' CG1' HG12 ' A' ' 322' ' ' VAL . 18.3 t -41.52 -46.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 294' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.07 -28.76 60.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 295' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.5 mm-40 -71.23 -53.59 13.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . 0.96 ' O ' ' N ' ' A' ' 300' ' ' ALA . 1.7 mp -55.41 -78.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 297' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 299' ' ' TYR . 1.0 OUTLIER -31.58 -70.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 297' ' ' THR . 1.2 mm-40 -34.94 -31.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 299' ' ' TYR . . . . . 1.263 ' CD2' ' O ' ' A' ' 221' ' ' SER . 0.5 OUTLIER -116.37 -24.96 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 1.116 ' O ' ' N ' ' A' ' 302' ' ' SER . . . -51.44 -53.59 35.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 301' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 300' ' ' ALA . 14.9 mttm -33.59 -2.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 302' ' ' SER . . . . . 1.116 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -61.68 -55.69 27.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.027 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 303' ' ' ILE . . . . . 0.512 ' CD1' ' H ' ' A' ' 303' ' ' ILE . 0.0 OUTLIER -46.3 126.25 7.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 304' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.3 Cg_endo -74.99 14.58 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . 0.556 ' O ' ' CD2' ' A' ' 309' ' ' LEU . . . -129.0 -23.02 1.19 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.712 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 0.6 OUTLIER -65.04 -56.3 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.79 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.17 -19.8 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.0 -15.56 61.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.8 mt -69.52 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 310' ' ' ASP . . . . . 0.719 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -141.66 149.43 40.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -46.8 72.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 312' ' ' ASN . . . . . 0.63 ' HB2' HD12 ' A' ' 401' ' ' LEU . 1.9 m-80 -80.53 -57.31 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 313' ' ' ASP . . . . . 0.719 ' CB ' ' HB3' ' A' ' 310' ' ' ASP . 23.2 t0 -39.66 -48.94 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 314' ' ' GLN . . . . . 0.579 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 25.7 mt-30 -56.81 -54.77 42.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.54 -32.53 58.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 316' ' ' THR . . . . . 0.9 HG21 ' HA ' ' A' ' 400' ' ' LEU . 0.9 OUTLIER -57.98 -65.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.392 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 317' ' ' LEU . . . . . 0.883 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -45.13 -44.12 10.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 318' ' ' LEU . . . . . 0.557 ' CD2' ' CG1' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -57.81 -58.02 10.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 319' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 318' ' ' LEU . 0.0 OUTLIER -39.09 -40.9 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 320' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -112.51 4.04 17.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 321' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -108.82 -50.97 0.71 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 322' ' ' VAL . . . . . 0.584 ' O ' ' CD1' ' A' ' 326' ' ' ILE . 3.9 m -37.35 -31.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . 0.698 ' CD2' ' CG2' ' A' ' 446' ' ' VAL . 0.0 OUTLIER -61.27 -60.77 3.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.63 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 324' ' ' GLU . . . . . 0.753 ' O ' ' HB ' ' A' ' 328' ' ' THR . 4.2 mp0 -66.73 1.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 325' ' ' ILE . . . . . 0.622 ' O ' HG22 ' A' ' 328' ' ' THR . 1.0 OUTLIER -100.62 -58.79 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 326' ' ' ILE . . . . . 0.651 ' O ' ' HB2' ' A' ' 330' ' ' LEU . 1.5 mt -60.54 -43.06 93.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.755 ' HA ' ' HB2' ' A' ' 330' ' ' LEU . 29.3 m-85 -76.54 -19.92 57.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' THR . . . . . 0.753 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 0.6 OUTLIER -58.02 -58.71 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' MET . . . . . 0.599 ' N ' ' CG2' ' A' ' 328' ' ' THR . 5.0 ptt? -93.55 -20.66 20.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.755 ' HB2' ' HA ' ' A' ' 327' ' ' TYR . 1.8 mt -38.64 -54.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 331' ' ' ALA . . . . . 0.692 ' HA ' ' HG3' ' A' ' 334' ' ' MET . . . -38.67 -45.75 1.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' SER . . . . . 0.67 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -57.35 -47.04 82.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.996 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . 0.629 HD13 ' N ' ' A' ' 333' ' ' LEU . 0.2 OUTLIER -71.98 24.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' MET . . . . . 0.701 ' CG ' ' HA ' ' A' ' 368' ' ' PHE . 4.9 mmt -109.6 172.93 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' ASN . . . . . 0.793 ' O ' ' CD1' ' A' ' 368' ' ' PHE . 2.1 t-20 -139.52 172.58 12.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' LYS . . . . . 0.771 ' H ' ' ND2' ' A' ' 335' ' ' ASN . 0.1 OUTLIER -62.89 -50.56 70.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' ASP . . . . . 0.533 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 5.9 m-20 -125.65 36.05 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . 0.736 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -173.7 -172.97 39.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 341' ' ' ILE . 1.0 OUTLIER -146.99 128.43 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 333' ' ' LEU . 3.6 mm? -53.24 128.86 29.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 339' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . 0.655 ' HA2' ' N ' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.631 ' CE1' HG21 ' A' ' 349' ' ' THR . 0.5 OUTLIER -177.45 142.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 110.989 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.654 ' N ' HG21 ' A' ' 341' ' ' ILE . 21.6 ttm -94.69 116.51 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' THR . . . . . 0.736 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.0 p -63.7 155.55 29.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . 0.677 ' NE ' ' OE2' ' A' ' 365' ' ' GLU . 30.3 ttm180 -57.07 -53.66 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 351' ' ' GLU . . . . . 0.579 ' O ' ' HB2' ' A' ' 355' ' ' SER . 2.9 pt-20 -42.63 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 352' ' ' PHE . . . . . 0.459 ' N ' ' C ' ' A' ' 350' ' ' ARG . 0.1 OUTLIER -86.92 -54.67 4.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 353' ' ' LEU . . . . . 0.782 ' O ' ' CD1' ' A' ' 356' ' ' LEU . 0.7 OUTLIER -53.74 -53.08 57.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 354' ' ' LYS . . . . . 0.681 ' O ' ' N ' ' A' ' 356' ' ' LEU . 5.2 mtpm? -64.79 -36.27 83.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 355' ' ' SER . . . . . 0.579 ' HB2' ' O ' ' A' ' 351' ' ' GLU . 0.4 OUTLIER -59.31 63.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 356' ' ' LEU . . . . . 0.782 ' CD1' ' O ' ' A' ' 353' ' ' LEU . 4.6 mt -149.63 -155.6 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 357' ' ' ARG . . . . . 0.678 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 2.1 mtm180 -68.77 160.52 30.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 358' ' ' LYS . . . . . 0.845 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.38 -66.65 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 359' ' ' PRO . . . . . 0.845 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.2 Cg_endo -75.02 -62.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 360' ' ' PHE . . . . . 0.57 ' O ' HD12 ' A' ' 356' ' ' LEU . 2.3 m-30 -48.43 -11.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 361' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 357' ' ' ARG . . . -86.85 34.03 3.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 362' ' ' ASP . . . . . 0.532 ' O ' ' OD1' ' A' ' 362' ' ' ASP . 50.4 p30 -177.98 59.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 363' ' ' PHE . . . . . 0.498 ' O ' ' NZ ' ' A' ' 367' ' ' LYS . 0.6 OUTLIER -105.39 -22.44 13.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 364' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 285' ' ' CYS . 0.3 OUTLIER -128.29 -4.94 5.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 365' ' ' GLU . . . . . 0.756 ' OE1' ' CE2' ' A' ' 368' ' ' PHE . 1.6 tp10 -74.83 -36.24 2.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.2 Cg_endo -75.01 -32.95 4.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.548 1.815 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 367' ' ' LYS . . . . . 0.631 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 0.2 OUTLIER -69.97 -60.8 2.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 368' ' ' PHE . . . . . 0.793 ' CD1' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -59.92 -47.99 83.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . 0.579 ' CB ' ' O ' ' A' ' 365' ' ' GLU . 6.1 tt0 -50.64 -45.31 57.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 370' ' ' PHE . . . . . 0.698 ' CG ' ' CD1' ' A' ' 445' ' ' ILE . 3.7 m-85 -70.28 -33.93 72.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 371' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' A' ' 331' ' ' ALA . . . -57.17 -47.47 81.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.53 -15.63 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 373' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -102.19 -25.45 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 374' ' ' PHE . . . . . 0.668 ' CE1' ' OD1' ' A' ' 441' ' ' ASP . 0.1 OUTLIER -90.04 -35.79 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . 0.4 ' C ' ' H ' ' A' ' 377' ' ' LEU . 1.2 m-80 -57.98 -11.02 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -83.96 26.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.49 ' CD1' ' HE2' ' A' ' 438' ' ' LYS . 1.2 pp -167.04 4.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 378' ' ' GLU . . . . . 0.492 ' O ' ' CD2' ' A' ' 379' ' ' LEU . 1.3 mt-10 -73.35 -172.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . 0.557 ' HB3' ' OD2' ' A' ' 383' ' ' ASP . 6.6 mt -136.53 -134.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 380' ' ' ASP . . . . . 0.7 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 0.4 OUTLIER -110.98 148.45 32.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . 0.527 ' OD2' ' CB ' ' A' ' 231' ' ' ALA . 1.5 m-20 -38.17 -29.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 382' ' ' SER . . . . . 0.63 ' HA ' ' CD1' ' A' ' 219' ' ' TYR . 0.3 OUTLIER -58.46 -62.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.039 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . 0.557 ' OD2' ' HB3' ' A' ' 379' ' ' LEU . 5.9 m-20 -63.45 -20.17 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 11.3 mt -81.91 -61.7 1.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 381' ' ' ASP . . . -36.48 -42.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 413' ' ' LEU . 20.0 mt -70.1 -54.32 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 387' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 390' ' ' VAL . 1.3 t80 -35.26 -53.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 388' ' ' ILE . . . . . 0.658 ' CG2' ' CZ ' ' A' ' 222' ' ' TYR . 0.3 OUTLIER -43.21 -50.54 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . 0.489 ' HB3' ' CD1' ' A' ' 413' ' ' LEU . . . -62.33 -34.02 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . 0.507 ' O ' ' OE1' ' A' ' 410' ' ' GLN . 39.2 t -69.22 -7.05 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.609 HG22 ' C ' ' A' ' 324' ' ' GLU . 17.1 mm -110.22 -17.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 392' ' ' ILE . . . . . 0.703 ' C ' ' H ' ' A' ' 394' ' ' SER . 0.1 OUTLIER -84.15 -56.86 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . 0.778 ' CB ' ' HG3' ' A' ' 410' ' ' GLN . 3.6 mm? -66.34 19.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 394' ' ' SER . . . . . 0.703 ' H ' ' C ' ' A' ' 392' ' ' ILE . 0.8 OUTLIER -76.71 117.01 17.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.045 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 395' ' ' GLY . . . . . 0.567 ' HA2' ' CD1' ' A' ' 400' ' ' LEU . . . -97.67 46.57 1.62 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 396' ' ' ASP . . . . . 0.54 ' OD1' ' CZ ' ' A' ' 397' ' ' ARG . 1.1 p-10 -101.12 -23.66 14.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 397' ' ' ARG . . . . . 0.919 ' HB2' ' HG ' ' A' ' 400' ' ' LEU . 14.0 mmt180 -61.03 123.36 75.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 10.2 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . 0.569 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . -125.69 30.62 4.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.919 ' HG ' ' HB2' ' A' ' 397' ' ' ARG . 16.7 mt -91.3 -176.55 4.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.767 . . . . 0.0 109.264 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.63 HD12 ' HB2' ' A' ' 312' ' ' ASN . 14.5 mt -126.04 -62.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . 0.953 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 1.8 m120 -108.71 79.61 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 403' ' ' VAL . . . . . 0.533 ' HA ' ' CD1' ' A' ' 406' ' ' ILE . 1.0 OUTLIER -71.45 -13.02 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.763 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -70.74 -51.49 11.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . 0.953 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -21.91 15.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . 0.78 HG13 ' O ' ' A' ' 402' ' ' ASN . 41.5 mt -68.66 -79.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -18.8 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . 0.763 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 29.1 m-20 -74.28 -59.65 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' ILE . . . . . 0.729 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 25.0 mm -56.96 -21.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . 0.778 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -73.8 -45.29 52.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . 0.475 ' HA ' ' CD2' ' A' ' 414' ' ' LEU . 15.8 t70 -42.34 -24.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . 0.483 ' N ' ' C ' ' A' ' 410' ' ' GLN . 1.8 t-20 -88.92 -68.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 409' ' ' ILE . 0.5 OUTLIER -36.89 -47.61 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 415' ' ' GLN . 0.9 OUTLIER -60.72 -54.67 42.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.563 ' N ' ' CD1' ' A' ' 414' ' ' LEU . 21.5 mt-30 -43.88 -57.21 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.688 ' O ' ' N ' ' A' ' 420' ' ' GLN . . . -48.87 -57.57 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . 0.697 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -38.66 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' GLU . . . . . 0.579 ' HB2' ' CD2' ' A' ' 432' ' ' PHE . 31.4 tt0 -50.64 -32.44 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.249 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.528 ' CD2' ' CD1' ' A' ' 423' ' ' LEU . 0.7 OUTLIER -70.04 -73.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' GLN . . . . . 0.688 ' N ' ' O ' ' A' ' 416' ' ' ALA . 0.0 OUTLIER -43.21 -35.87 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.561 ' CD1' ' C ' ' A' ' 421' ' ' LEU . 0.1 OUTLIER -73.28 -41.17 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . 0.538 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 4.4 mttt -77.91 6.67 7.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . 0.528 ' CD1' ' CD2' ' A' ' 419' ' ' LEU . 10.0 mt -123.32 -42.52 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.645 ' ND2' ' CD2' ' A' ' 425' ' ' HIS . 0.0 OUTLIER -81.17 -16.07 53.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.645 ' CD2' ' ND2' ' A' ' 424' ' ' ASN . 0.3 OUTLIER 177.08 73.15 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.589 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.538 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.3 Cg_endo -74.95 151.76 40.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 170.32 175.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 36.6 t 63.64 -100.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 3.2 p 171.21 -66.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -102.83 25.99 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 430' ' ' GLN . 0.7 OUTLIER -38.25 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' PHE . . . . . 0.661 ' CD1' HD11 ' A' ' 417' ' ' LEU . 0.5 OUTLIER -84.91 -49.04 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' ALA . . . . . 0.648 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -44.5 -24.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . 0.468 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.3 OUTLIER -98.02 -48.26 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' LEU . . . . . 0.492 ' CD1' HD23 ' A' ' 417' ' ' LEU . 0.3 OUTLIER -39.52 -38.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.58 ' CD2' ' CE1' ' A' ' 432' ' ' PHE . 3.3 pp -74.62 -49.44 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' GLN . . . . . 0.648 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 1.3 mt-30 -49.73 -11.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.614 ' HD3' ' CE2' ' A' ' 374' ' ' PHE . 3.1 mmpm? -48.63 -29.83 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' MET . . . . . 0.69 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.05 -46.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.761 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.1 OUTLIER -31.08 -95.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.668 ' OD1' ' CE1' ' A' ' 374' ' ' PHE . 0.5 OUTLIER -44.92 -22.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' LEU . . . . . 0.539 ' O ' ' CG2' ' A' ' 446' ' ' VAL . 1.0 OUTLIER -73.45 -79.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' ARG . . . . . 0.69 ' N ' ' O ' ' A' ' 439' ' ' MET . 1.2 ttt180 -58.72 -19.79 43.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.234 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.761 ' HB2' ' O ' ' A' ' 440' ' ' THR . 13.6 mm-40 -75.84 -79.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.698 ' CD1' ' CG ' ' A' ' 370' ' ' PHE . 10.1 mt -44.92 -45.45 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.698 ' CG2' ' CD2' ' A' ' 323' ' ' HIS . 68.6 t -51.93 -66.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 444' ' ' GLN . 15.3 t -46.26 -24.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.43 -52.41 9.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' HIS . . . . . 0.468 ' ND1' ' OH ' ' A' ' 327' ' ' TYR . 0.1 OUTLIER -42.81 -31.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.598 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' A' ' 454' ' ' GLN . 21.9 t -82.01 -49.4 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' GLN . . . . . 0.476 ' O ' ' CG2' ' A' ' 455' ' ' VAL . 4.6 mt-30 -44.94 -25.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.401 ' N ' ' C ' ' A' ' 450' ' ' VAL . 1.6 mt -86.71 -68.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.528 ' CD2' ' CZ ' ' A' ' 473' ' ' TYR . 0.1 OUTLIER -58.56 -17.18 19.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' GLN . . . . . 0.675 ' O ' ' CG ' ' A' ' 458' ' ' LYS . 0.7 OUTLIER -80.56 -50.52 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 451' ' ' GLN . 95.4 t -70.62 -6.02 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . 0.885 ' O ' ' N ' ' A' ' 460' ' ' GLU . 1.4 tp -105.91 -59.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' LYS . . . . . 0.616 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 0.0 OUTLIER -49.76 -20.04 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' LYS . . . . . 0.675 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -102.6 -39.4 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' THR . . . . . 0.527 ' O ' ' CG2' ' A' ' 459' ' ' THR . 2.1 m -126.39 39.52 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.885 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.2 OUTLIER -44.12 170.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.5 OUTLIER -72.28 -22.45 61.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 461' ' ' THR . 4.2 t0 170.72 54.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 5.5 ttt 62.07 152.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 465' ' ' LEU . 3.6 m -164.62 175.84 9.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.588 HD13 ' CD2' ' A' ' 466' ' ' HIS . 0.1 OUTLIER 39.29 -127.06 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . 0.908 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 13.2 p80 -158.59 -177.3 0.72 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . 0.908 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.99 -44.88 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . 0.585 ' N ' ' HD1' ' A' ' 466' ' ' HIS . 0.5 OUTLIER -43.86 -20.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' LEU . . . . . 0.524 ' N ' ' C ' ' A' ' 467' ' ' PRO . 0.0 OUTLIER -89.26 -56.86 3.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.484 ' CG ' ' HD2' ' A' ' 457' ' ' LYS . 1.4 tt0 -46.76 -28.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -76.05 -53.25 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.0 OUTLIER -45.43 -57.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' TYR . . . . . 0.528 ' CZ ' ' CD2' ' A' ' 453' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 210' ' ' ASP . . . . . 0.566 ' O ' ' HB3' ' A' ' 214' ' ' LEU . 2.1 p30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.754 ' HA ' HD13 ' A' ' 419' ' ' LEU . 0.1 OUTLIER -56.97 -60.57 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 212' ' ' ARG . . . . . 0.44 ' NH2' ' HB2' ' A' ' 420' ' ' GLN . 0.3 OUTLIER -94.55 -21.82 18.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . 0.504 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -72.42 -57.96 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 214' ' ' LEU . . . . . 0.566 ' HB3' ' O ' ' A' ' 210' ' ' ASP . 11.8 tp -56.78 -55.55 32.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -42.36 -67.61 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -51.96 -28.31 16.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 217' ' ' HIS . . . . . 0.586 ' O ' ' N ' ' A' ' 220' ' ' ASP . 33.0 t60 -73.27 -73.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.644 ' O ' ' HB2' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -36.89 -50.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 219' ' ' TYR . . . . . 0.558 ' CE2' HD13 ' A' ' 223' ' ' ILE . 19.1 t80 -70.54 -32.61 70.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 217' ' ' HIS . 0.7 OUTLIER -61.37 -75.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 221' ' ' SER . . . . . 0.748 ' CB ' ' HB2' ' A' ' 302' ' ' SER . 67.2 m -50.53 -29.07 9.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 222' ' ' TYR . . . . . 0.705 ' CE2' ' HA ' ' A' ' 385' ' ' ALA . 0.6 OUTLIER -71.82 -49.83 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 223' ' ' ILE . . . . . 0.558 HD13 ' CE2' ' A' ' 219' ' ' TYR . 1.1 mp -52.06 -10.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . 0.532 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.1 OUTLIER -94.61 -44.09 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 225' ' ' SER . . . . . 0.629 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 29.5 t -59.36 -77.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 226' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 226' ' ' PHE . 0.0 OUTLIER -113.77 110.09 49.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 227' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.4 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.543 ' CD1' ' HB2' ' A' ' 233' ' ' ALA . 0.5 OUTLIER -59.46 80.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 229' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 227' ' ' PRO . 15.5 p -83.52 -165.68 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . 0.553 ' HB2' ' CB ' ' A' ' 332' ' ' SER . 0.2 OUTLIER -75.36 -27.81 59.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 235' ' ' ALA . . . -76.14 -39.78 54.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 232' ' ' LYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 236' ' ' ILE . 1.4 mttp -73.04 -40.56 65.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 233' ' ' ALA . . . . . 0.543 ' HB2' ' CD1' ' A' ' 228' ' ' LEU . . . -68.05 -47.75 67.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . 0.654 ' NE ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -77.07 1.29 18.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . 0.877 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -87.48 -69.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.583 ' CD1' ' O ' ' A' ' 232' ' ' LYS . 0.0 OUTLIER -61.45 -37.55 78.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 237' ' ' LEU . . . . . 0.61 HD12 ' NH1' ' A' ' 234' ' ' ARG . 26.6 mt -51.73 -34.1 37.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 238' ' ' THR . . . . . 0.619 ' O ' ' C ' ' A' ' 239' ' ' GLY . 1.9 t -161.98 -35.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . 0.877 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . 0.763 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 247' ' ' PHE . . . . . 0.615 ' C ' ' O ' ' A' ' 246' ' ' PRO . 14.4 t80 -14.22 75.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.763 ' N ' ' O ' ' A' ' 246' ' ' PRO . 1.5 m -58.84 101.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 249' ' ' ILE . . . . . 0.544 ' CG2' ' HG2' ' A' ' 348' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 276' ' ' GLU . . . . . 0.723 ' CG ' ' H ' ' A' ' 278' ' ' ALA . 4.6 tt0 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 277' ' ' VAL . . . . . 0.618 ' O ' ' HB ' ' A' ' 281' ' ' ILE . 2.3 t -66.33 -16.44 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 278' ' ' ALA . . . . . 0.788 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -86.48 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 0.547 ' H ' ' HG2' ' A' ' 276' ' ' GLU . 0.1 OUTLIER -36.51 -38.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . 0.619 ' HG3' ' H ' ' A' ' 281' ' ' ILE . 0.0 OUTLIER -76.56 -48.12 20.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 281' ' ' ILE . . . . . 0.717 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.1 OUTLIER -74.5 -44.79 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 282' ' ' PHE . . . . . 0.788 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.6 OUTLIER -50.78 -45.36 59.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 283' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 284' ' ' GLY . 12.5 pt20 -69.45 -34.3 74.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 284' ' ' GLY . . . . . 0.482 ' N ' ' HG3' ' A' ' 283' ' ' GLN . . . -84.24 -56.53 2.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 285' ' ' CYS . . . . . 0.717 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.0 OUTLIER -54.74 -16.35 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 286' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 4.4 tm0? -103.32 -27.98 12.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 287' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 283' ' ' GLN . 29.0 t80 -51.48 -45.37 62.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -22.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.04 -54.2 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 290' ' ' VAL . . . . . 0.534 ' O ' ' CG1' ' A' ' 293' ' ' VAL . 3.5 m -50.94 -22.46 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 294' ' ' GLN . 57.2 mt-10 -84.11 -59.76 2.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . 0.616 ' O ' ' N ' ' A' ' 295' ' ' GLU . . . -34.67 -56.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.245 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 290' ' ' VAL . 0.3 OUTLIER -39.59 -45.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 294' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.15 -27.63 59.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 295' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 292' ' ' ALA . 10.5 mm-40 -76.55 -50.13 14.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . 0.716 ' O ' ' N ' ' A' ' 300' ' ' ALA . 2.3 mp -46.98 -65.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 297' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 296' ' ' ILE . 0.9 OUTLIER -37.36 -62.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.31 -27.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 299' ' ' TYR . . . . . 0.775 ' O ' ' HB2' ' A' ' 302' ' ' SER . 1.0 OUTLIER -105.5 -36.35 7.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.734 ' C ' ' H ' ' A' ' 302' ' ' SER . . . -53.47 -54.56 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -49.89 -0.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 302' ' ' SER . . . . . 0.775 ' HB2' ' O ' ' A' ' 299' ' ' TYR . 8.6 t -71.2 -41.19 70.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 303' ' ' ILE . . . . . 0.478 ' CG2' ' CD2' ' A' ' 413' ' ' LEU . 0.5 OUTLIER -69.82 124.32 90.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 45.91 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.462 1.77 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . 0.567 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -159.29 -29.1 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.839 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 2.7 t80 -56.48 -61.08 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -22.35 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -75.43 -13.76 60.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.839 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.9 mt -67.47 -108.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 310' ' ' ASP . . . . . 0.775 ' HB3' ' HB2' ' A' ' 313' ' ' ASP . 8.7 t70 -146.91 155.13 42.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -48.39 68.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 312' ' ' ASN . . . . . 0.566 ' HB2' ' CD1' ' A' ' 401' ' ' LEU . 31.8 m-80 -81.21 -58.87 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 313' ' ' ASP . . . . . 0.775 ' HB2' ' HB3' ' A' ' 310' ' ' ASP . 6.3 t0 -36.52 -46.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 314' ' ' GLN . . . . . 0.67 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 23.5 mt-30 -61.57 -60.46 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.73 -48.31 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 316' ' ' THR . . . . . 0.471 HG21 ' O ' ' A' ' 398' ' ' PRO . 3.0 m -44.32 -55.26 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 317' ' ' LEU . . . . . 0.782 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.0 OUTLIER -48.5 -55.51 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 318' ' ' LEU . . . . . 0.491 HD23 ' CG2' ' A' ' 296' ' ' ILE . 0.2 OUTLIER -60.23 -43.41 96.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 319' ' ' LYS . . . . . 0.621 ' NZ ' ' O ' ' A' ' 473' ' ' TYR . 0.7 OUTLIER -45.1 -29.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 320' ' ' TYR . . . . . 0.481 ' CB ' ' HB3' ' A' ' 397' ' ' ARG . 1.9 t80 -131.97 4.98 4.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 321' ' ' GLY . . . . . 0.782 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -103.92 -47.48 1.26 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 322' ' ' VAL . . . . . 0.607 ' O ' HG13 ' A' ' 326' ' ' ILE . 2.7 p -44.59 -24.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . 0.512 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 16.4 m-70 -66.14 -58.7 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.563 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 324' ' ' GLU . . . . . 0.874 ' O ' ' HB ' ' A' ' 328' ' ' THR . 2.8 mt-10 -70.31 6.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 325' ' ' ILE . . . . . 0.877 ' O ' HG21 ' A' ' 328' ' ' THR . 1.1 mp -106.6 -46.67 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 326' ' ' ILE . . . . . 0.607 HG13 ' O ' ' A' ' 322' ' ' VAL . 10.6 mt -79.3 -39.64 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.677 ' CD2' HG23 ' A' ' 446' ' ' VAL . 27.4 m-85 -76.71 -20.91 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' THR . . . . . 0.877 HG21 ' O ' ' A' ' 325' ' ' ILE . 6.5 t -72.52 -56.89 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' MET . . . . . 0.555 ' N ' ' CG2' ' A' ' 328' ' ' THR . 13.7 ptt? -78.86 -21.48 47.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.62 ' O ' ' N ' ' A' ' 333' ' ' LEU . 2.3 mt -51.3 -57.27 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 331' ' ' ALA . . . . . 0.697 ' O ' ' HB2' ' A' ' 334' ' ' MET . . . -32.58 -50.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' SER . . . . . 0.654 ' O ' ' NE ' ' A' ' 234' ' ' ARG . 69.1 m -60.91 -45.8 93.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.053 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . 0.63 ' CD1' ' N ' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -70.98 13.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' MET . . . . . 0.697 ' HB2' ' O ' ' A' ' 331' ' ' ALA . 3.2 mmt -94.49 170.46 9.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' ASN . . . . . 0.56 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 0.8 OUTLIER -145.68 165.26 29.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' LYS . . . . . 0.56 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -40.07 -51.8 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 5.7 m-20 -143.62 42.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . 0.787 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -163.93 175.84 40.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . 0.756 ' O ' HG21 ' A' ' 341' ' ' ILE . 7.4 p -143.41 132.96 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.539 ' CD2' HD13 ' A' ' 237' ' ' LEU . 0.4 OUTLIER -53.71 128.9 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' ILE . . . . . 0.756 HG21 ' O ' ' A' ' 339' ' ' VAL . 3.1 pt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . 0.538 ' HA3' ' CA ' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.642 ' C ' ' CD1' ' A' ' 347' ' ' PHE . 0.3 OUTLIER -170.65 149.3 3.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 110.974 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.581 ' HE3' ' CD2' ' A' ' 352' ' ' PHE . 0.0 OUTLIER -96.8 121.86 39.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' THR . . . . . 0.787 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 1.3 p -69.6 150.81 46.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . 0.824 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 25.6 ttp180 -65.33 -52.93 50.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 351' ' ' GLU . . . . . 0.595 ' O ' ' CB ' ' A' ' 355' ' ' SER . 0.8 OUTLIER -39.9 -23.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 352' ' ' PHE . . . . . 0.6 ' O ' HD21 ' A' ' 356' ' ' LEU . 0.5 OUTLIER -87.04 -61.29 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 353' ' ' LEU . . . . . 0.543 ' O ' ' HG ' ' A' ' 356' ' ' LEU . 0.3 OUTLIER -68.19 -24.55 64.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 354' ' ' LYS . . . . . 0.743 ' HA ' ' O ' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -91.44 -19.74 22.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 355' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 0.0 OUTLIER -55.99 -42.81 76.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.979 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 356' ' ' LEU . . . . . 0.93 ' CD1' ' HA2' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -41.68 175.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 357' ' ' ARG . . . . . 0.696 ' HG3' ' C ' ' A' ' 360' ' ' PHE . 0.6 OUTLIER -34.55 129.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 358' ' ' LYS . . . . . 0.801 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -31.78 -53.5 0.5 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 359' ' ' PRO . . . . . 0.801 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.01 -90.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 360' ' ' PHE . . . . . 0.724 ' CE1' ' CD1' ' A' ' 456' ' ' ILE . 2.9 m-85 -67.84 39.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 361' ' ' GLY . . . . . 0.93 ' HA2' ' CD1' ' A' ' 356' ' ' LEU . . . -138.65 22.15 3.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 362' ' ' ASP . . . . . 0.55 ' OD1' ' O ' ' A' ' 358' ' ' LYS . 0.0 OUTLIER -172.03 72.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 363' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -97.09 6.73 48.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 364' ' ' MET . . . . . 0.549 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 1.1 ttt -121.07 -6.28 9.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 365' ' ' GLU . . . . . 0.824 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 4.6 tp10 -58.61 -38.3 63.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.96 -18.97 18.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 367' ' ' LYS . . . . . 0.635 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 25.1 mttp -77.1 -47.86 19.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 368' ' ' PHE . . . . . 0.678 ' CE1' ' HB ' ' A' ' 339' ' ' VAL . 4.3 m-30 -58.45 -48.38 80.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . 0.436 ' O ' HG11 ' A' ' 372' ' ' VAL . 4.5 tt0 -60.64 -46.81 88.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 370' ' ' PHE . . . . . 0.62 ' CE2' ' HB3' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -60.07 -35.73 75.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 371' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 331' ' ' ALA . . . -66.74 -60.72 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 372' ' ' VAL . . . . . 0.436 HG11 ' O ' ' A' ' 369' ' ' GLU . 4.3 p -50.38 -20.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 373' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -95.52 -26.5 15.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 374' ' ' PHE . . . . . 0.696 ' CZ ' ' HG3' ' A' ' 438' ' ' LYS . 0.2 OUTLIER -87.04 -41.52 13.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . 0.518 ' OD1' ' C ' ' A' ' 371' ' ' ALA . 3.1 m120 -55.24 -16.95 3.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -90.64 35.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 1.0 OUTLIER -173.71 4.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.18 -174.19 4.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . 0.428 ' CD1' HD12 ' A' ' 435' ' ' LEU . 22.2 mt -134.26 -126.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 380' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 382' ' ' SER . 56.8 p30 -116.84 140.23 49.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . 0.674 ' O ' ' N ' ' A' ' 385' ' ' ALA . 60.4 m-20 -27.05 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 382' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 380' ' ' ASP . 0.3 OUTLIER -46.51 -68.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . 0.406 ' OD2' ' CB ' ' A' ' 379' ' ' LEU . 8.7 m-20 -58.93 -25.25 63.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . 0.686 ' C ' ' H ' ' A' ' 386' ' ' ILE . 10.5 mt -75.02 -53.3 9.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . 0.705 ' HA ' ' CE2' ' A' ' 222' ' ' TYR . . . -66.57 17.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.686 ' H ' ' C ' ' A' ' 384' ' ' LEU . 3.1 mm -118.69 -67.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 387' ' ' PHE . . . . . 0.673 ' C ' ' CD1' ' A' ' 387' ' ' PHE . 0.3 OUTLIER -50.26 -31.39 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 388' ' ' ILE . . . . . 0.599 HG12 HG13 ' A' ' 325' ' ' ILE . 0.0 OUTLIER -53.03 -48.4 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . 0.458 ' N ' HG23 ' A' ' 388' ' ' ILE . . . -62.9 -33.12 74.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . 0.616 ' CG2' ' O ' ' A' ' 387' ' ' PHE . 0.9 OUTLIER -67.32 -23.6 30.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.602 ' CG2' ' CB ' ' A' ' 324' ' ' GLU . 68.0 mt -79.94 -22.54 11.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 392' ' ' ILE . . . . . 0.746 ' CG2' ' CE1' ' A' ' 306' ' ' PHE . 7.0 mm -75.86 -56.21 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . 0.776 ' CD1' ' HB ' ' A' ' 409' ' ' ILE . 4.1 mm? -66.63 35.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 394' ' ' SER . . . . . 0.669 ' H ' ' C ' ' A' ' 392' ' ' ILE . 75.2 m -86.95 93.9 9.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 395' ' ' GLY . . . . . 0.574 ' N ' ' CG2' ' A' ' 406' ' ' ILE . . . -74.31 63.03 2.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 0.0 111.069 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 396' ' ' ASP . . . . . 0.408 ' C ' ' HD3' ' A' ' 397' ' ' ARG . 1.3 t70 -149.35 18.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 397' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 317' ' ' LEU . 4.0 mmt180 -95.68 155.76 38.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . 0.471 ' O ' HG21 ' A' ' 316' ' ' THR . 18.2 Cg_endo -75.01 128.04 11.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . 0.418 ' O ' ' OG1' ' A' ' 316' ' ' THR . . . 91.62 37.3 6.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.636 ' CD2' HD12 ' A' ' 317' ' ' LEU . 0.2 OUTLIER -87.96 139.92 30.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.566 ' CD1' ' HB2' ' A' ' 312' ' ' ASN . 17.9 mt -97.69 -68.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . 1.332 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 4.6 m120 -110.07 83.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 403' ' ' VAL . . . . . 0.616 ' CG2' HD13 ' A' ' 400' ' ' LEU . 1.2 t -69.18 -3.11 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.664 ' N ' ' CD ' ' A' ' 405' ' ' PRO . 3.0 mtmt -79.45 -42.91 1.61 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . 1.332 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -24.16 13.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . 1.267 ' CD1' ' O ' ' A' ' 402' ' ' ASN . 4.1 mp -70.51 -51.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.2 -18.33 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . 0.558 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 93.4 m-20 -79.25 -58.11 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' ILE . . . . . 0.776 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 20.3 mm -58.03 -25.15 25.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . 0.699 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -71.14 -43.97 66.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -46.97 -25.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 410' ' ' GLN . 1.0 OUTLIER -86.58 -50.63 6.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 409' ' ' ILE . 2.7 mt -54.31 -41.45 69.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.513 ' CD1' ' HB ' ' A' ' 390' ' ' VAL . 9.1 mp -60.36 -46.16 90.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.635 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 40.6 mt-30 -51.96 -57.61 8.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.587 ' CA ' ' HB3' ' A' ' 419' ' ' LEU . . . -46.25 -50.6 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . 0.662 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -46.15 -82.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' GLU . . . . . 0.548 ' H ' ' CD1' ' A' ' 417' ' ' LEU . 0.9 OUTLIER -56.01 -17.09 5.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.754 HD13 ' HA ' ' A' ' 211' ' ' LEU . 0.3 OUTLIER -68.58 -82.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' GLN . . . . . 0.545 ' O ' ' CG ' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -60.83 -5.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.586 ' CD2' ' CE1' ' A' ' 425' ' ' HIS . 0.1 OUTLIER -88.5 -54.29 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 418' ' ' GLU . 0.0 OUTLIER -78.83 9.91 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . 0.547 ' CD1' HD22 ' A' ' 211' ' ' LEU . 12.1 mt -118.59 -39.84 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.628 ' CG ' ' CD2' ' A' ' 425' ' ' HIS . 42.1 p-10 -82.3 -13.44 56.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.628 ' CD2' ' CG ' ' A' ' 424' ' ' ASN . 33.0 p80 172.37 76.41 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.52 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.98 153.67 42.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 428' ' ' SER . 29.8 tt0 175.5 134.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 427' ' ' GLU . 0.3 OUTLIER 87.17 -148.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 3.0 p -124.87 -77.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' GLN . . . . . 0.468 ' C ' ' N ' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -97.58 26.92 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 430' ' ' GLN . 0.2 OUTLIER -39.01 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' PHE . . . . . 0.74 ' CD1' ' C ' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -85.45 -49.25 8.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' ALA . . . . . 0.649 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -44.17 -23.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . 0.595 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 1.2 ptpm? -99.72 -47.76 4.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' LEU . . . . . 0.531 ' HA ' ' CE ' ' A' ' 438' ' ' LYS . 0.4 OUTLIER -37.51 -38.8 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' A' ' 439' ' ' MET . 50.9 mt -78.88 -48.78 14.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' GLN . . . . . 0.649 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 2.0 mm-40 -42.12 -17.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.696 ' HG3' ' CZ ' ' A' ' 374' ' ' PHE . 0.2 OUTLIER -52.43 -25.98 11.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 0.0 OUTLIER -25.85 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.642 ' O ' ' N ' ' A' ' 444' ' ' GLN . 73.1 p -30.85 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.521 ' O ' HG13 ' A' ' 445' ' ' ILE . 1.3 m-20 -41.05 -25.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' LEU . . . . . 0.563 ' N ' ' O ' ' A' ' 439' ' ' MET . 0.5 OUTLIER -75.83 -82.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 439' ' ' MET . 1.2 ttt180 -58.25 -25.62 61.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.642 ' N ' ' O ' ' A' ' 440' ' ' THR . 0.0 OUTLIER -71.55 -73.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.703 ' CG2' ' CE1' ' A' ' 449' ' ' HIS . 25.4 mt -49.09 -27.83 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.677 HG23 ' CD2' ' A' ' 327' ' ' TYR . 1.2 t -60.48 -71.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' THR . . . . . 0.476 ' N ' ' CG1' ' A' ' 446' ' ' VAL . 4.3 t -40.66 -28.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 446' ' ' VAL . 1.2 mm-40 -77.24 -53.74 7.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' HIS . . . . . 0.703 ' CE1' ' CG2' ' A' ' 445' ' ' ILE . 33.9 m170 -43.83 -27.39 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' VAL . . . . . 0.734 ' O ' ' N ' ' A' ' 454' ' ' GLN . 11.4 t -80.83 -57.71 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 450' ' ' VAL . 0.4 OUTLIER -36.74 -29.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 450' ' ' VAL . 6.1 mt -82.22 -75.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.449 ' HA ' HG23 ' A' ' 456' ' ' ILE . 2.7 pp -58.91 -13.44 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' GLN . . . . . 0.734 ' N ' ' O ' ' A' ' 450' ' ' VAL . 0.2 OUTLIER -80.72 -51.34 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 53.2 t -70.97 -5.17 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . 0.801 ' O ' ' N ' ' A' ' 460' ' ' GLU . 1.0 OUTLIER -105.04 -59.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' LYS . . . . . 0.624 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 13.0 pttt -49.32 -20.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' LYS . . . . . 0.655 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -101.03 -39.44 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' THR . . . . . 0.507 ' O ' ' CG2' ' A' ' 459' ' ' THR . 2.2 m -132.3 48.34 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.801 ' N ' ' O ' ' A' ' 456' ' ' ILE . 3.1 mm-40 -42.89 167.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.3 OUTLIER -67.5 -23.16 65.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.9 OUTLIER 171.66 59.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' MET . . . . . 0.447 ' HB3' ' O ' ' A' ' 462' ' ' ASP . 0.0 OUTLIER 65.2 118.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 464' ' ' SER . 0.0 OUTLIER 171.47 92.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.566 ' HA ' ' CE1' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -174.57 -145.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . 0.972 ' CG ' ' HD2' ' A' ' 467' ' ' PRO . 3.0 t-80 -117.18 156.71 48.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.619 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . 0.972 ' HD2' ' CG ' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.98 129.72 12.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' A' ' 469' ' ' LEU . 0.2 OUTLIER 83.22 4.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' LEU . . . . . 0.533 ' O ' ' CG ' ' A' ' 470' ' ' GLN . 0.8 OUTLIER 80.32 69.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.733 ' HA ' ' CG ' ' A' ' 466' ' ' HIS . 12.9 pt20 47.31 52.06 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' GLU . . . . . 0.54 ' H ' ' CE1' ' A' ' 466' ' ' HIS . 38.4 mt-10 61.42 32.67 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . 0.509 ' O ' ' C ' ' A' ' 473' ' ' TYR . 0.3 OUTLIER 67.42 82.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' TYR . . . . . 0.621 ' O ' ' NZ ' ' A' ' 319' ' ' LYS . 53.3 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 210' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 214' ' ' LEU . 48.3 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.619 ' CD2' ' CD1' ' A' ' 419' ' ' LEU . 0.2 OUTLIER -43.89 -83.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 212' ' ' ARG . . . . . 0.446 ' N ' HD13 ' A' ' 211' ' ' LEU . 0.2 OUTLIER -91.17 -9.48 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -76.63 -59.92 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 214' ' ' LEU . . . . . 0.527 ' HG ' ' CD2' ' A' ' 218' ' ' LEU . 2.9 tp -57.48 -51.54 69.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -43.8 -63.42 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . 0.632 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -52.88 -27.02 16.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 217' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 220' ' ' ASP . 16.4 t60 -70.94 -72.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 109.588 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.674 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 0.3 OUTLIER -34.49 -53.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 219' ' ' TYR . . . . . 0.648 ' CE1' ' CD1' ' A' ' 223' ' ' ILE . 15.2 t80 -68.67 -35.66 77.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . 0.632 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 0.4 OUTLIER -59.66 -74.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 221' ' ' SER . . . . . 0.713 ' CB ' ' CB ' ' A' ' 302' ' ' SER . 33.0 p -52.31 -25.51 9.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 222' ' ' TYR . . . . . 0.736 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 30.0 t80 -73.29 -55.57 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 223' ' ' ILE . . . . . 0.648 ' CD1' ' CE1' ' A' ' 219' ' ' TYR . 0.9 OUTLIER -48.88 -12.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.5 OUTLIER -93.21 -45.36 7.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 225' ' ' SER . . . . . 0.743 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 47.7 t -39.48 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 226' ' ' PHE . . . . . 0.68 ' CD1' ' OE1' ' A' ' 295' ' ' GLU . 1.3 t80 -141.2 144.82 36.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 227' ' ' PRO . . . . . 0.652 ' HD2' ' CD1' ' A' ' 226' ' ' PHE . 18.3 Cg_endo -74.96 -40.27 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.532 1.806 . . . . 0.0 111.041 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.484 ' CD1' ' HG ' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -60.83 115.48 3.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 229' ' ' THR . . . . . 0.457 ' OG1' ' HG3' ' A' ' 232' ' ' LYS . 44.3 p -135.38 -161.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -83.04 -27.79 30.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 235' ' ' ALA . . . -78.63 -40.51 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 232' ' ' LYS . . . . . 0.457 ' HG3' ' OG1' ' A' ' 229' ' ' THR . 1.5 mttm -75.53 -41.36 55.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 233' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 237' ' ' LEU . . . -66.13 -51.08 61.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . 0.908 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -74.7 -5.09 41.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . 0.906 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -73.57 -67.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -63.36 -35.08 70.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 237' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 233' ' ' ALA . 0.2 OUTLIER -59.67 -34.77 73.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 238' ' ' THR . . . . . 0.625 ' O ' ' C ' ' A' ' 239' ' ' GLY . 0.7 OUTLIER -149.78 -41.52 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . 0.906 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . 0.83 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 247' ' ' PHE . . . . . 0.774 ' O ' ' CG ' ' A' ' 247' ' ' PHE . 0.5 OUTLIER -16.0 72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.83 ' N ' ' O ' ' A' ' 246' ' ' PRO . 13.1 p -57.68 138.48 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 249' ' ' ILE . . . . . 0.533 ' CG2' ' CD1' ' A' ' 341' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 276' ' ' GLU . . . . . 0.608 ' OE1' ' NE ' ' A' ' 357' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 277' ' ' VAL . . . . . 0.495 ' CG2' ' HB3' ' A' ' 356' ' ' LEU . 6.1 p -34.94 -43.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 278' ' ' ALA . . . . . 0.733 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -59.05 -71.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 0.48 ' C ' ' O ' ' A' ' 278' ' ' ALA . 0.4 OUTLIER -34.11 -33.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -76.21 -54.03 7.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 281' ' ' ILE . . . . . 0.697 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.6 OUTLIER -76.76 -42.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 282' ' ' PHE . . . . . 0.733 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.7 OUTLIER -54.33 -45.82 72.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 283' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 14.0 pt20 -68.77 -34.64 75.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 284' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -82.95 -59.22 2.22 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 285' ' ' CYS . . . . . 0.697 ' N ' ' O ' ' A' ' 281' ' ' ILE . 8.1 p -53.22 -16.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 286' ' ' GLN . . . . . 0.53 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 24.2 tt0 -104.6 -25.26 12.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 287' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 283' ' ' GLN . 26.6 t80 -53.01 -32.06 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -21.48 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 31.1 t -84.76 -56.58 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 290' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.8 m -47.41 -28.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . 0.586 ' O ' ' N ' ' A' ' 294' ' ' GLN . 28.1 mt-10 -77.2 -60.86 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . 0.612 ' CB ' HG12 ' A' ' 326' ' ' ILE . . . -36.4 -53.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . 0.445 ' HA ' ' CG2' ' A' ' 322' ' ' VAL . 23.4 t -42.75 -40.35 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 294' ' ' GLN . . . . . 0.586 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.9 mt-30 -77.3 -26.7 52.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 295' ' ' GLU . . . . . 0.68 ' OE1' ' CD1' ' A' ' 226' ' ' PHE . 8.3 mt-10 -78.68 -47.45 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . 0.678 ' O ' ' N ' ' A' ' 300' ' ' ALA . 1.6 mp -51.35 -63.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 297' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 299' ' ' TYR . 0.9 OUTLIER -39.64 -62.53 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . 0.41 ' N ' HG23 ' A' ' 297' ' ' THR . 0.1 OUTLIER -42.77 -26.6 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 299' ' ' TYR . . . . . 0.743 ' HB2' ' HB2' ' A' ' 225' ' ' SER . 0.8 OUTLIER -104.84 -34.38 8.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.724 ' C ' ' H ' ' A' ' 302' ' ' SER . . . -59.04 -54.62 45.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -53.75 1.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 302' ' ' SER . . . . . 0.724 ' H ' ' C ' ' A' ' 300' ' ' ALA . 18.2 p -74.5 -38.96 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 303' ' ' ILE . . . . . 0.524 ' CG2' ' CD2' ' A' ' 413' ' ' LEU . 0.7 OUTLIER -64.31 126.56 90.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 46.96 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . 0.562 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -162.52 -28.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.798 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 1.3 t80 -56.84 -60.69 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.749 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -23.21 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -71.82 -15.44 62.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.798 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.2 mt -68.88 -109.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 310' ' ' ASP . . . . . 0.613 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 7.2 t70 -141.88 153.28 44.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -47.09 79.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 312' ' ' ASN . . . . . 0.551 ' HB2' ' CD1' ' A' ' 401' ' ' LEU . 58.3 m-80 -79.87 -59.3 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 313' ' ' ASP . . . . . 0.613 ' CB ' ' HB3' ' A' ' 310' ' ' ASP . 22.9 t0 -35.84 -52.01 0.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 314' ' ' GLN . . . . . 0.594 ' O ' ' CD1' ' A' ' 317' ' ' LEU . 32.1 mt-30 -57.83 -50.68 72.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 315' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 312' ' ' ASN . 26.3 t -63.15 -47.45 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 316' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' A' ' 399' ' ' GLY . 1.6 m -47.52 -63.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 317' ' ' LEU . . . . . 0.708 ' O ' ' N ' ' A' ' 321' ' ' GLY . 1.0 OUTLIER -46.78 -46.71 20.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 318' ' ' LEU . . . . . 0.497 ' CD2' ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -64.29 -46.34 84.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 319' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 315' ' ' VAL . 4.8 tptt -40.28 -43.33 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 320' ' ' TYR . . . . . 0.57 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 2.5 m-85 -116.38 3.61 13.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 321' ' ' GLY . . . . . 0.708 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -102.06 -54.05 0.93 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 322' ' ' VAL . . . . . 0.57 ' O ' HG13 ' A' ' 326' ' ' ILE . 1.5 p -41.3 -25.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . 0.608 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 26.3 m170 -71.52 -45.95 61.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 324' ' ' GLU . . . . . 0.783 ' O ' ' HB ' ' A' ' 328' ' ' THR . 5.0 mt-10 -73.7 5.25 4.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 325' ' ' ILE . . . . . 0.622 ' CD1' ' CG2' ' A' ' 391' ' ' ILE . 1.1 mp -110.62 -47.36 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 326' ' ' ILE . . . . . 0.612 HG12 ' CB ' ' A' ' 292' ' ' ALA . 3.2 mt -77.01 -39.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.705 ' CD2' HG22 ' A' ' 446' ' ' VAL . 21.5 m-30 -76.73 -22.74 53.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' THR . . . . . 0.821 HG21 ' CE1' ' A' ' 387' ' ' PHE . 0.6 OUTLIER -72.43 -60.2 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' MET . . . . . 0.635 ' N ' ' CG2' ' A' ' 328' ' ' THR . 19.9 ptt? -73.96 -19.83 60.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.572 ' CG ' ' O ' ' A' ' 326' ' ' ILE . 1.8 mt -49.94 -45.83 51.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 331' ' ' ALA . . . . . 0.574 ' CB ' ' CB ' ' A' ' 371' ' ' ALA . . . -44.3 -54.41 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' SER . . . . . 0.908 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 56.8 m -58.27 -21.49 48.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.017 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . 0.606 ' CD1' ' N ' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -94.65 17.51 13.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' MET . . . . . 0.682 ' HG3' ' HA ' ' A' ' 368' ' ' PHE . 5.8 mmt -99.79 178.02 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' ASN . . . . . 0.627 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.8 t-20 -145.67 169.67 18.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' LYS . . . . . 0.755 ' O ' ' CZ ' ' A' ' 368' ' ' PHE . 0.0 OUTLIER -49.94 -46.8 52.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' ASP . . . . . 0.547 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 0.5 OUTLIER -140.59 39.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . 0.726 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -169.93 -169.43 33.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . 0.629 ' O ' HG21 ' A' ' 341' ' ' ILE . 0.1 OUTLIER -153.13 128.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.559 ' C ' HG21 ' A' ' 341' ' ' ILE . 3.5 mm? -39.2 159.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' ILE . . . . . 0.792 HG21 ' HA ' ' A' ' 347' ' ' PHE . 1.4 pt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . 0.672 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.792 ' HA ' HG21 ' A' ' 341' ' ' ILE . 0.3 OUTLIER -168.91 133.55 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.635 ' SD ' ' CD2' ' A' ' 352' ' ' PHE . 9.0 mmm -88.05 115.75 25.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' THR . . . . . 0.726 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.0 p -61.97 150.49 37.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . 0.722 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 2.1 ttm180 -64.23 -51.68 62.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 351' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 355' ' ' SER . 0.0 OUTLIER -45.53 -18.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 352' ' ' PHE . . . . . 0.635 ' CD2' ' SD ' ' A' ' 348' ' ' MET . 0.9 OUTLIER -90.12 -62.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 353' ' ' LEU . . . . . 0.594 ' O ' HD21 ' A' ' 356' ' ' LEU . 0.2 OUTLIER -55.06 -52.77 62.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 354' ' ' LYS . . . . . 0.687 ' HG3' ' HA ' ' A' ' 362' ' ' ASP . 0.2 OUTLIER -61.88 -34.49 76.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 355' ' ' SER . . . . . 0.508 ' C ' ' HG ' ' A' ' 356' ' ' LEU . 0.6 OUTLIER -54.01 75.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 356' ' ' LEU . . . . . 0.667 ' N ' ' O ' ' A' ' 354' ' ' LYS . 0.2 OUTLIER 174.27 -166.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 357' ' ' ARG . . . . . 0.608 ' NE ' ' OE1' ' A' ' 276' ' ' GLU . 2.4 mtt180 -26.58 124.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 358' ' ' LYS . . . . . 0.788 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.67 -52.73 1.42 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 359' ' ' PRO . . . . . 0.788 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.0 -71.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.56 1.821 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 360' ' ' PHE . . . . . 0.712 ' CZ ' ' CD2' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -46.86 -13.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 361' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 357' ' ' ARG . . . -107.61 51.05 0.75 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 362' ' ' ASP . . . . . 0.687 ' HA ' ' HG3' ' A' ' 354' ' ' LYS . 1.0 OUTLIER 169.51 61.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 109.245 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 363' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 364' ' ' MET . 0.1 OUTLIER -121.78 -8.73 8.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 364' ' ' MET . . . . . 0.537 ' HB2' ' CE1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -125.52 0.18 7.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 365' ' ' GLU . . . . . 0.722 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 9.0 tp10 -68.0 -37.84 12.53 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . 0.719 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.99 -25.97 11.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 367' ' ' LYS . . . . . 0.594 ' CB ' ' CE ' ' A' ' 334' ' ' MET . 20.3 mtmm -72.28 -48.48 42.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 368' ' ' PHE . . . . . 0.755 ' CZ ' ' O ' ' A' ' 336' ' ' LYS . 0.0 OUTLIER -69.82 -39.67 76.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -58.24 -46.94 85.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 370' ' ' PHE . . . . . 0.654 ' CD1' ' HB2' ' A' ' 441' ' ' ASP . 0.6 OUTLIER -73.63 -33.01 64.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 371' ' ' ALA . . . . . 0.574 ' CB ' ' CB ' ' A' ' 331' ' ' ALA . . . -55.93 -47.99 76.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 4.7 t -61.18 -14.37 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 373' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -102.89 -25.68 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 374' ' ' PHE . . . . . 0.624 ' CZ ' ' HG3' ' A' ' 438' ' ' LYS . 0.3 OUTLIER -90.58 -35.56 14.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . 0.47 ' OD1' ' NE ' ' A' ' 234' ' ' ARG . 2.3 m-80 -55.8 -11.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -86.0 28.7 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 0.8 OUTLIER -160.68 3.68 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 378' ' ' GLU . . . . . 0.433 ' OE1' ' OG ' ' A' ' 332' ' ' SER . 0.2 OUTLIER -81.91 128.31 33.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . 0.59 HD11 ' CD2' ' A' ' 425' ' ' HIS . 0.4 OUTLIER -83.5 -107.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 380' ' ' ASP . . . . . 0.591 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 52.3 p30 -131.11 142.07 50.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 385' ' ' ALA . 10.4 m-20 -35.75 -29.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 382' ' ' SER . . . . . 0.618 ' HA ' ' CD1' ' A' ' 219' ' ' TYR . 62.1 m -57.29 -67.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . 0.538 ' OD1' ' NE2' ' A' ' 420' ' ' GLN . 1.7 m-20 -58.26 -31.7 67.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . 0.674 ' O ' ' CD2' ' A' ' 387' ' ' PHE . 9.4 mt -71.23 -58.52 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . 0.651 ' HB2' ' CD2' ' A' ' 222' ' ' TYR . . . -33.91 -38.59 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.471 ' O ' ' C ' ' A' ' 387' ' ' PHE . 2.6 mt -64.37 -59.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 387' ' ' PHE . . . . . 0.945 ' CD1' ' N ' ' A' ' 388' ' ' ILE . 0.1 OUTLIER -31.22 -47.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 388' ' ' ILE . . . . . 0.945 ' N ' ' CD1' ' A' ' 387' ' ' PHE . 0.2 OUTLIER -39.52 -66.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . 0.677 ' HA ' ' CG1' ' A' ' 392' ' ' ILE . . . -56.33 -27.79 56.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . 0.527 ' O ' ' CG1' ' A' ' 390' ' ' VAL . 1.2 t -82.16 3.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.622 ' CG2' ' CD1' ' A' ' 325' ' ' ILE . 21.0 mm -113.57 -19.97 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 392' ' ' ILE . . . . . 0.694 ' C ' ' H ' ' A' ' 394' ' ' SER . 2.6 pt -93.32 -48.44 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . 0.763 ' CB ' ' HG3' ' A' ' 410' ' ' GLN . 1.3 mm? -64.06 15.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 394' ' ' SER . . . . . 0.694 ' H ' ' C ' ' A' ' 392' ' ' ILE . 10.2 m -86.51 106.84 17.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 395' ' ' GLY . . . . . 0.485 ' HA2' ' CD1' ' A' ' 400' ' ' LEU . . . -81.26 66.71 3.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 396' ' ' ASP . . . . . 0.408 ' OD2' ' NH2' ' A' ' 443' ' ' ARG . 7.5 t0 -114.14 -18.0 11.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 397' ' ' ARG . . . . . 0.583 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -64.14 128.23 92.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 5.44 3.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . 0.525 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . -126.45 34.97 3.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.583 ' HG ' ' CB ' ' A' ' 397' ' ' ARG . 21.7 mt -91.95 163.16 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.551 ' CD1' ' HB2' ' A' ' 312' ' ' ASN . 17.5 mt -110.77 -59.77 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . 0.775 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 1.7 m120 -109.95 85.11 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 403' ' ' VAL . . . . . 0.518 ' HA ' ' CD1' ' A' ' 406' ' ' ILE . 1.0 OUTLIER -78.96 -15.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.618 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -69.15 -49.5 24.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . 0.775 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.05 -26.9 10.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 402' ' ' ASN . 56.7 mt -60.3 -81.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -51.17 -21.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . 0.618 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 9.0 m-20 -72.03 -53.8 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' ILE . . . . . 0.679 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 15.7 mm -58.7 -21.67 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . 0.763 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -73.48 -40.29 64.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.08 -24.58 1.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.83 -57.74 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 409' ' ' ILE . 0.2 OUTLIER -51.92 -30.03 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.404 HD21 ' CD2' ' A' ' 432' ' ' PHE . 0.1 OUTLIER -70.81 -47.46 59.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.556 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 45.7 mt-30 -47.49 -57.57 5.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.62 ' HA ' ' HB3' ' A' ' 419' ' ' LEU . . . -56.95 -47.14 81.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . 0.697 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -44.21 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' GLU . . . . . 0.584 ' HB2' ' CD1' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -54.69 -23.15 16.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.62 ' HB3' ' HA ' ' A' ' 416' ' ' ALA . 0.2 OUTLIER -66.55 -82.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' GLN . . . . . 0.637 ' NE2' ' ND2' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -55.4 -10.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.533 ' HG ' ' CE1' ' A' ' 425' ' ' HIS . 0.7 OUTLIER -88.68 -50.82 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . 0.611 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 14.5 mtpt -72.08 -3.28 22.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . 0.436 ' CD1' ' HG ' ' A' ' 419' ' ' LEU . 14.9 mt -102.21 -48.08 4.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.637 ' ND2' ' NE2' ' A' ' 420' ' ' GLN . 72.4 m-20 -73.41 -8.69 56.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.59 ' CD2' HD11 ' A' ' 379' ' ' LEU . 0.0 OUTLIER -166.0 69.38 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.617 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.611 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.98 102.89 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 428' ' ' SER . 3.9 tm-20 -172.52 134.08 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 427' ' ' GLU . 2.7 t 87.37 -152.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' SER . . . . . 0.468 ' C ' ' CG ' ' A' ' 430' ' ' GLN . 8.6 p -148.98 142.09 24.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' GLN . . . . . 0.468 ' CG ' ' C ' ' A' ' 429' ' ' SER . 0.0 OUTLIER 49.07 25.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 27.3 tp -39.94 -29.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' PHE . . . . . 0.594 ' HB2' ' CD1' ' A' ' 417' ' ' LEU . 37.0 p90 -85.5 -46.94 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' ALA . . . . . 0.57 ' N ' ' CG ' ' A' ' 432' ' ' PHE . . . -39.49 -27.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . 0.53 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.0 OUTLIER -97.09 -46.86 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 438' ' ' LYS . 0.4 OUTLIER -45.37 -35.07 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' A' ' 438' ' ' LYS . 3.6 pp -76.05 -46.04 31.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' GLN . . . . . 0.538 ' C ' ' HG3' ' A' ' 439' ' ' MET . 1.9 mm-40 -47.75 -12.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.624 ' HG3' ' CZ ' ' A' ' 374' ' ' PHE . 0.0 OUTLIER -49.77 -23.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' MET . . . . . 0.55 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.02 -43.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.694 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 53.7 p -34.14 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.654 ' HB2' ' CD1' ' A' ' 370' ' ' PHE . 0.0 OUTLIER -41.59 -25.23 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' LEU . . . . . 0.602 ' O ' HG23 ' A' ' 446' ' ' VAL . 2.5 mm? -77.63 -87.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' A' ' 439' ' ' MET . 21.0 ttm180 -50.26 -22.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.694 ' HB2' ' O ' ' A' ' 440' ' ' THR . 0.0 OUTLIER -78.97 -75.54 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.616 HD12 ' CD2' ' A' ' 370' ' ' PHE . 9.2 mt -54.02 -34.4 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.705 HG22 ' CD2' ' A' ' 327' ' ' TYR . 52.7 t -61.64 -63.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 444' ' ' GLN . 13.3 t -45.9 -27.15 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 451' ' ' GLN . 40.9 tt0 -73.83 -57.14 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' HIS . . . . . 0.439 ' NE2' ' OH ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -42.15 -31.85 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' VAL . . . . . 0.627 ' O ' ' N ' ' A' ' 454' ' ' GLN . 69.3 t -80.67 -44.2 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 448' ' ' GLU . 0.1 OUTLIER -48.52 -23.16 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.74 -67.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' A' ' 457' ' ' LYS . 0.2 OUTLIER -61.14 -18.09 56.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' GLN . . . . . 0.627 ' N ' ' O ' ' A' ' 450' ' ' VAL . 2.5 tt0 -81.46 -49.36 10.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 451' ' ' GLN . 71.1 t -71.82 -4.89 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . 0.86 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.1 OUTLIER -104.65 -61.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' LYS . . . . . 0.65 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 2.1 ptpp? -41.36 -29.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 1.0 OUTLIER -94.24 -39.28 10.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -127.22 46.58 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.377 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.86 ' N ' ' O ' ' A' ' 456' ' ' ILE . 3.7 mm-40 -42.87 169.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -71.35 -28.5 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.435 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' ASP . . . . . 0.496 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.6 OUTLIER 169.13 49.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' MET . . . . . 0.404 ' HB3' ' O ' ' A' ' 462' ' ' ASP . 4.8 ttt 62.96 128.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' SER . . . . . 0.459 ' OG ' ' NH2' ' A' ' 357' ' ' ARG . 29.6 p -179.4 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.507 ' CD2' ' C ' ' A' ' 465' ' ' LEU . 0.0 OUTLIER 174.16 168.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . 1.084 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 15.3 p80 -117.76 -170.58 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . 1.084 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.95 -45.76 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.81 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . 0.514 ' O ' ' CG1' ' A' ' 472' ' ' ILE . 1.1 mt -43.6 -20.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' LEU . . . . . 0.718 ' CD2' ' CE1' ' A' ' 466' ' ' HIS . 12.0 mt -92.89 -55.25 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -47.07 -29.57 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -75.79 -53.16 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . 0.514 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.1 mm -45.66 -58.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 473' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 210' ' ' ASP . . . . . 0.689 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.687 ' HA ' HD12 ' A' ' 419' ' ' LEU . 0.2 OUTLIER -36.32 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.94 -12.7 54.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . 0.689 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -72.56 -67.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 214' ' ' LEU . . . . . 0.461 ' HG ' ' CD2' ' A' ' 218' ' ' LEU . 12.1 tp -53.52 -49.63 67.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -43.46 -67.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . 0.795 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -47.55 -31.97 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 217' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 220' ' ' ASP . 17.2 t60 -68.82 -70.34 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.612 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.685 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 3.8 mm? -36.82 -50.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 219' ' ' TYR . . . . . 0.612 ' CE1' ' CD1' ' A' ' 223' ' ' ILE . 93.5 t80 -75.47 -29.26 59.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . 0.795 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 4.7 t0 -58.36 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 221' ' ' SER . . . . . 0.725 ' CB ' ' HB2' ' A' ' 302' ' ' SER . 49.4 m -53.34 -27.45 23.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 222' ' ' TYR . . . . . 0.681 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 22.4 t80 -68.85 -53.56 20.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 223' ' ' ILE . . . . . 0.612 ' CD1' ' CE1' ' A' ' 219' ' ' TYR . 1.0 OUTLIER -53.33 -11.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 220' ' ' ASP . 1.1 mptp? -92.27 -44.27 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 225' ' ' SER . . . . . 0.705 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 31.1 t -44.04 -71.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 226' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 295' ' ' GLU . 0.0 OUTLIER -130.42 140.41 38.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 227' ' ' PRO . . . . . 0.481 ' O ' ' CG2' ' A' ' 229' ' ' THR . 18.3 Cg_endo -75.01 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.524 1.802 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.441 ' CD1' HD13 ' A' ' 333' ' ' LEU . 0.0 OUTLIER -51.55 119.88 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 229' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 233' ' ' ALA . 64.7 p -131.62 -165.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . 0.51 ' CG ' ' HB3' ' A' ' 332' ' ' SER . 3.8 tmtt? -82.49 -27.09 32.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . 0.475 ' N ' ' OD1' ' A' ' 381' ' ' ASP . . . -80.18 -22.06 42.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 232' ' ' LYS . . . . . 0.437 ' HA ' ' HB3' ' A' ' 235' ' ' ALA . 4.3 mttp -99.95 -35.39 9.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 233' ' ' ALA . . . . . 0.629 ' O ' ' HB2' ' A' ' 237' ' ' LEU . . . -69.14 -49.14 59.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . 0.748 ' N ' ' HD2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -75.15 -20.76 59.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . 0.888 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -60.05 -67.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.513 ' CD1' ' HB3' ' A' ' 246' ' ' PRO . 0.4 OUTLIER -61.36 -38.83 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 237' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 233' ' ' ALA . 0.3 OUTLIER -53.73 -34.59 59.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 238' ' ' THR . . . . . 0.654 ' O ' ' C ' ' A' ' 239' ' ' GLY . 0.0 OUTLIER -158.4 -38.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . 0.888 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . 0.891 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 247' ' ' PHE . . . . . 0.577 ' CB ' ' HA3' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -37.18 71.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.891 ' N ' ' O ' ' A' ' 246' ' ' PRO . 21.4 t -55.52 103.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 249' ' ' ILE . . . . . 0.462 ' CD1' HD11 ' A' ' 341' ' ' ILE . 1.2 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 276' ' ' GLU . . . . . 0.698 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 277' ' ' VAL . . . . . 0.57 ' CG1' ' HB3' ' A' ' 356' ' ' LEU . 2.4 p -56.47 -15.29 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 278' ' ' ALA . . . . . 0.73 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -83.56 -68.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 464' ' ' SER . 0.4 OUTLIER -37.63 -31.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 283' ' ' GLN . 11.0 tpt180 -76.97 -55.15 5.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 281' ' ' ILE . . . . . 0.563 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.5 OUTLIER -75.51 -43.43 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 282' ' ' PHE . . . . . 0.739 ' CE1' ' CE1' ' A' ' 360' ' ' PHE . 79.6 t80 -53.01 -46.58 68.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 283' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 280' ' ' ARG . 6.4 pt20 -66.94 -34.56 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 284' ' ' GLY . . . . . 0.459 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -81.1 -58.82 2.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 285' ' ' CYS . . . . . 0.563 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.5 OUTLIER -53.7 -15.96 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 286' ' ' GLN . . . . . 0.459 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -105.97 -24.44 12.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 287' ' ' PHE . . . . . 0.482 ' CE2' ' OE1' ' A' ' 291' ' ' GLU . 24.5 t80 -53.65 -32.48 51.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -19.0 61.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 23.9 t -86.88 -55.08 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.005 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 290' ' ' VAL . . . . . . . . . . . . . 2.7 m -49.91 -29.42 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 294' ' ' GLN . 45.1 mt-10 -78.58 -59.67 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . 0.627 ' CB ' HG12 ' A' ' 326' ' ' ILE . . . -34.44 -56.24 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . 0.483 ' HA ' ' CG2' ' A' ' 322' ' ' VAL . 54.2 t -39.91 -46.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 294' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.6 mt-30 -73.85 -27.32 61.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.237 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 295' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.4 mt-10 -75.73 -50.81 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 300' ' ' ALA . 3.3 mp -44.84 -62.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 297' ' ' THR . . . . . 0.419 ' C ' ' N ' ' A' ' 299' ' ' TYR . 0.9 OUTLIER -40.23 -61.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.31 -28.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 299' ' ' TYR . . . . . 0.783 ' O ' ' CB ' ' A' ' 302' ' ' SER . 0.8 OUTLIER -103.13 -44.28 5.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.748 ' C ' ' H ' ' A' ' 302' ' ' SER . . . -46.11 -55.48 6.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -53.42 2.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 302' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 299' ' ' TYR . 16.9 t -74.18 -40.14 62.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.017 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 303' ' ' ILE . . . . . 0.558 ' CG2' ' CD2' ' A' ' 413' ' ' LEU . 1.3 mt -59.99 128.78 87.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 45.62 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . 0.54 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -165.45 -27.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.78 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 55.2 t80 -54.46 -60.1 3.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -22.53 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -75.45 -14.35 60.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.4 mt -68.84 -109.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 310' ' ' ASP . . . . . 0.613 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 7.6 t70 -145.01 152.21 39.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.97 -47.7 74.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 312' ' ' ASN . . . . . 0.544 ' HB2' ' CD1' ' A' ' 401' ' ' LEU . 62.5 m-80 -78.56 -57.89 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 313' ' ' ASP . . . . . 0.613 ' CB ' ' HB3' ' A' ' 310' ' ' ASP . 24.1 t0 -38.37 -53.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 314' ' ' GLN . . . . . 0.576 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 23.1 mt-30 -53.98 -49.72 68.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.72 -49.21 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 316' ' ' THR . . . . . 0.577 ' CG2' ' O ' ' A' ' 399' ' ' GLY . 1.2 m -43.08 -65.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 317' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -45.19 -52.34 9.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 318' ' ' LEU . . . . . 0.503 ' CD2' ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -56.92 -49.31 75.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -39.68 -42.92 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 320' ' ' TYR . . . . . 0.512 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 6.4 m-85 -113.89 5.97 16.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 321' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -109.35 -52.02 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 322' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 326' ' ' ILE . 1.5 p -41.2 -27.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . 0.552 ' O ' ' CD1' ' A' ' 327' ' ' TYR . 61.9 m170 -71.73 -45.76 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 324' ' ' GLU . . . . . 0.74 ' O ' ' HB ' ' A' ' 328' ' ' THR . 4.1 mt-10 -74.12 2.97 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 325' ' ' ILE . . . . . 0.659 ' O ' HG21 ' A' ' 328' ' ' THR . 0.8 OUTLIER -105.62 -49.03 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 326' ' ' ILE . . . . . 0.627 HG12 ' CB ' ' A' ' 292' ' ' ALA . 1.6 mt -72.13 -36.8 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.639 ' CD2' ' CG2' ' A' ' 446' ' ' VAL . 5.7 m-85 -75.83 -29.2 58.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' THR . . . . . 0.74 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 0.7 OUTLIER -62.29 -58.87 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' MET . . . . . 0.612 ' N ' ' CG2' ' A' ' 328' ' ' THR . 25.7 ptm -79.92 -19.33 48.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.602 ' HB2' ' HA ' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -43.92 -46.81 8.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 331' ' ' ALA . . . . . 0.716 ' O ' ' HB2' ' A' ' 334' ' ' MET . . . -48.38 -48.96 36.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' SER . . . . . 0.737 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 0.9 OUTLIER -59.08 -14.66 10.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . 0.552 ' CD1' ' HB1' ' A' ' 233' ' ' ALA . 2.3 mm? -100.11 18.35 18.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' MET . . . . . 0.716 ' HB2' ' O ' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -93.41 -172.88 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' ASN . . . . . 0.773 ' O ' ' CE1' ' A' ' 368' ' ' PHE . 8.8 t-20 -158.76 169.55 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' LYS . . . . . 0.571 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -55.81 -53.74 53.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 1.6 m-20 -130.68 37.7 3.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . 0.777 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -171.25 -161.69 22.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . 0.664 ' O ' HG21 ' A' ' 341' ' ' ILE . 25.8 m -157.0 125.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.779 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 333' ' ' LEU . 2.2 mm? -36.36 157.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' ILE . . . . . 0.696 HG21 ' HA ' ' A' ' 347' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . 0.577 ' HA3' ' CB ' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.696 ' HA ' HG21 ' A' ' 341' ' ' ILE . 0.1 OUTLIER -169.61 134.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 0.755 . . . . 0.0 110.968 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 0.523 ' H ' ' CG2' ' A' ' 341' ' ' ILE . 30.1 ttm -90.85 121.19 32.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' THR . . . . . 0.777 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.7 p -64.84 146.37 54.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . 0.703 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 10.6 ttm180 -53.33 -51.67 61.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 351' ' ' GLU . . . . . 0.559 ' O ' ' CB ' ' A' ' 355' ' ' SER . 1.8 pt-20 -53.25 -14.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 352' ' ' PHE . . . . . 0.492 ' HB2' ' OG1' ' A' ' 349' ' ' THR . 7.0 t80 -91.48 -66.96 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 353' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 356' ' ' LEU . 0.3 OUTLIER -49.9 -54.25 20.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 354' ' ' LYS . . . . . 0.726 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.3 OUTLIER -61.04 -38.9 87.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 355' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 0.3 OUTLIER -50.24 75.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 356' ' ' LEU . . . . . 0.726 ' N ' ' O ' ' A' ' 354' ' ' LYS . 0.3 OUTLIER 176.14 -169.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 357' ' ' ARG . . . . . 0.698 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.6 OUTLIER -18.74 124.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 358' ' ' LYS . . . . . 0.799 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.42 -58.22 0.82 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 359' ' ' PRO . . . . . 0.799 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.4 Cg_endo -75.0 -67.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 360' ' ' PHE . . . . . 0.739 ' CE1' ' CE1' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -49.11 -9.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 361' ' ' GLY . . . . . 0.627 ' N ' ' O ' ' A' ' 357' ' ' ARG . . . -129.13 53.18 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 362' ' ' ASP . . . . . 0.545 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 14.3 t70 172.9 45.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 363' ' ' PHE . . . . . 0.728 ' CZ ' ' HB2' ' A' ' 452' ' ' LEU . 0.9 OUTLIER -138.88 16.99 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 364' ' ' MET . . . . . 0.839 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 2.4 mpp? -117.47 9.38 13.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 365' ' ' GLU . . . . . 0.92 ' N ' ' CD ' ' A' ' 366' ' ' PRO . 5.9 tp10 -78.82 -18.41 0.27 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . 0.92 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -75.03 -43.19 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.554 1.818 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 367' ' ' LYS . . . . . 0.452 ' HG3' ' CG2' ' A' ' 445' ' ' ILE . 0.7 OUTLIER -76.94 -37.52 55.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 368' ' ' PHE . . . . . 0.773 ' CE1' ' O ' ' A' ' 335' ' ' ASN . 1.7 t80 -59.17 -58.26 9.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 373' ' ' LYS . 1.0 OUTLIER -59.57 -57.86 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 370' ' ' PHE . . . . . 0.711 ' CE2' ' CB ' ' A' ' 331' ' ' ALA . 0.1 OUTLIER -36.8 -47.75 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 371' ' ' ALA . . . . . 0.56 ' CB ' ' CB ' ' A' ' 331' ' ' ALA . . . -66.26 -46.72 76.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 372' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 369' ' ' GLU . 54.3 t -56.47 -18.09 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 373' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 369' ' ' GLU . 0.0 OUTLIER -104.78 -23.38 13.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 374' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' A' ' 370' ' ' PHE . 0.8 OUTLIER -91.23 -39.69 11.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . 0.482 ' CG ' ' O ' ' A' ' 371' ' ' ALA . 15.3 m120 -52.12 -15.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -87.79 32.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 0.7 OUTLIER -175.09 4.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 378' ' ' GLU . . . . . 0.596 ' OE2' ' CB ' ' A' ' 332' ' ' SER . 2.1 mt-10 -69.65 128.15 35.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . 0.554 HD22 ' CD2' ' A' ' 425' ' ' HIS . 0.3 OUTLIER -82.91 -139.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 380' ' ' ASP . . . . . 0.583 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 33.8 p30 -106.51 144.34 33.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 231' ' ' ALA . 12.4 m-20 -35.99 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 382' ' ' SER . . . . . 0.565 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 4.9 m -58.27 -61.43 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . 0.496 ' OD2' ' HB3' ' A' ' 379' ' ' LEU . 17.6 m-20 -59.2 -28.5 66.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 3.8 mt -75.37 -57.63 3.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . 0.594 ' HB3' ' CD2' ' A' ' 222' ' ' TYR . . . -35.7 -47.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 382' ' ' SER . 8.9 mt -61.26 -60.2 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 387' ' ' PHE . . . . . 0.573 ' CZ ' HD12 ' A' ' 435' ' ' LEU . 3.4 t80 -33.75 -44.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 388' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 389' ' ' ALA . 0.4 OUTLIER -48.58 -64.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . 0.524 ' CB ' HD11 ' A' ' 413' ' ' LEU . . . -48.92 -45.29 41.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . 0.467 ' O ' ' CD ' ' A' ' 410' ' ' GLN . 1.0 OUTLIER -58.57 -25.6 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.649 HG22 ' C ' ' A' ' 324' ' ' GLU . 27.7 mt -87.62 -18.51 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 392' ' ' ILE . . . . . 0.484 HD12 ' CB ' ' A' ' 300' ' ' ALA . 60.5 mt -68.48 -76.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . 0.753 ' HB2' ' HG3' ' A' ' 410' ' ' GLN . 0.1 OUTLIER -62.95 92.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 394' ' ' SER . . . . . 0.624 ' O ' ' N ' ' A' ' 396' ' ' ASP . 5.0 m -126.46 87.77 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 395' ' ' GLY . . . . . . . . . . . . . . . -61.44 60.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 396' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 394' ' ' SER . 10.6 t70 -131.86 -23.08 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 397' ' ' ARG . . . . . 0.557 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -64.67 127.32 92.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 7.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . 0.577 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . -125.94 33.39 3.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.557 ' HG ' ' CB ' ' A' ' 397' ' ' ARG . 17.3 mt -95.22 156.65 16.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.544 ' CD1' ' HB2' ' A' ' 312' ' ' ASN . 20.3 mt -109.82 -58.25 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . 0.743 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 1.5 m120 -108.32 83.01 1.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 403' ' ' VAL . . . . . 0.493 ' CG2' HD12 ' A' ' 400' ' ' LEU . 1.0 OUTLIER -79.46 -15.91 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.732 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -68.72 -50.27 25.14 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . 0.743 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.03 -26.37 10.93 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . 0.673 HG13 ' O ' ' A' ' 402' ' ' ASN . 61.5 mt -59.93 -83.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -51.09 -23.05 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . 0.732 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 10.7 m-20 -73.49 -57.42 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' ILE . . . . . 0.717 ' CG2' HD12 ' A' ' 393' ' ' LEU . 33.2 mm -56.97 -18.25 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . 0.753 ' HG3' ' HB2' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -76.78 -41.1 45.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -45.91 -24.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.7 OUTLIER -85.96 -51.39 6.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . 0.558 ' CD2' ' CG2' ' A' ' 303' ' ' ILE . 2.4 mt -55.75 -40.19 72.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.476 ' CD1' ' OE1' ' A' ' 410' ' ' GLN . 0.0 OUTLIER -61.54 -46.55 89.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.588 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 40.5 mt-30 -51.21 -57.7 8.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.603 ' HA ' ' HB3' ' A' ' 419' ' ' LEU . . . -52.69 -45.87 67.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . 0.68 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -47.23 -81.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' GLU . . . . . 0.606 ' HB3' ' CG ' ' A' ' 432' ' ' PHE . 0.5 OUTLIER -55.34 -19.27 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 211' ' ' LEU . 0.3 OUTLIER -69.07 -78.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' GLN . . . . . 0.656 ' NE2' HD21 ' A' ' 424' ' ' ASN . 0.0 OUTLIER -59.28 -10.9 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.533 ' HB3' ' O ' ' A' ' 417' ' ' LEU . 1.4 tt -89.94 -49.48 6.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 12.0 ttpp -71.53 -3.37 20.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . 0.531 ' O ' ' HD3' ' A' ' 426' ' ' PRO . 10.9 mt -103.87 -42.22 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.656 HD21 ' NE2' ' A' ' 420' ' ' GLN . 31.4 m-20 -77.22 -9.05 58.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.592 ' CE1' ' HB3' ' A' ' 424' ' ' ASN . 0.1 OUTLIER -159.73 61.59 1.74 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.614 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.544 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.2 Cg_endo -75.09 106.22 2.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.487 1.783 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 426' ' ' PRO . 0.0 OUTLIER 168.46 66.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' SER . . . . . 0.4 ' OG ' ' HB2' ' A' ' 431' ' ' LEU . 23.2 t -179.05 -173.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 1.6 m -108.65 -94.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -97.72 29.36 3.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . 0.417 ' HA ' ' HG2' ' A' ' 434' ' ' LYS . 0.3 OUTLIER -40.21 -44.71 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' PHE . . . . . 0.659 ' CD1' ' C ' ' A' ' 432' ' ' PHE . 0.1 OUTLIER -70.62 -35.23 72.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.016 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' ALA . . . . . 0.577 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -66.97 -21.81 65.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . 0.417 ' HG2' ' HA ' ' A' ' 431' ' ' LEU . 0.0 OUTLIER -100.41 -12.32 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' LEU . . . . . 0.573 HD12 ' CZ ' ' A' ' 387' ' ' PHE . 0.8 OUTLIER -78.06 -37.71 46.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' A' ' 439' ' ' MET . 1.6 pp -71.92 -46.04 59.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 1.6 mt-30 -46.94 -14.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.594 ' HD2' ' CZ ' ' A' ' 374' ' ' PHE . 16.9 mmtp -51.27 -25.24 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' MET . . . . . 0.636 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -23.53 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.99 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.616 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 71.8 p -32.62 -90.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.496 ' O ' HG13 ' A' ' 445' ' ' ILE . 1.1 m-20 -42.59 -23.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' LEU . . . . . 0.518 ' CD2' ' HA ' ' A' ' 328' ' ' THR . 0.7 OUTLIER -77.04 -79.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 439' ' ' MET . 3.4 ttt180 -58.77 -24.74 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.616 ' HB2' ' O ' ' A' ' 440' ' ' THR . 0.0 OUTLIER -73.95 -71.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 441' ' ' ASP . 28.7 mt -51.94 -29.61 11.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.639 ' CG2' ' CD2' ' A' ' 327' ' ' TYR . 3.3 t -61.12 -68.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 444' ' ' GLN . 6.1 t -44.11 -26.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 451' ' ' GLN . 4.1 tt0 -76.11 -56.88 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -46.14 -25.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' VAL . . . . . 0.692 ' O ' ' N ' ' A' ' 454' ' ' GLN . 24.1 t -90.01 -35.84 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' GLN . . . . . 0.489 ' O ' ' CG2' ' A' ' 455' ' ' VAL . 5.4 mt-30 -51.59 -26.45 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.728 ' HB2' ' CZ ' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -95.03 -50.56 5.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.598 ' HA ' ' CG1' ' A' ' 456' ' ' ILE . 0.2 OUTLIER -69.56 -12.65 61.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' GLN . . . . . 0.703 ' O ' ' CG ' ' A' ' 458' ' ' LYS . 32.2 tt0 -93.55 -47.67 6.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 451' ' ' GLN . 93.8 t -69.32 -12.35 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . 0.643 ' O ' ' N ' ' A' ' 460' ' ' GLU . 2.4 pp -101.27 -52.34 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' LYS . . . . . 0.594 ' HE2' ' CE1' ' A' ' 473' ' ' TYR . 0.0 OUTLIER -57.89 -13.92 5.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' LYS . . . . . 0.703 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -108.02 -37.26 6.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 6.5 m -142.86 55.65 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.643 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.5 mm-40 -48.04 172.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -63.95 -26.71 68.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' A' ' 461' ' ' THR . 3.0 t0 169.73 49.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' MET . . . . . 0.446 ' HG2' ' N ' ' A' ' 464' ' ' SER . 0.6 OUTLIER 60.9 139.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' SER . . . . . 0.519 ' O ' ' CG1' ' A' ' 279' ' ' ILE . 3.1 t 179.8 54.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 466' ' ' HIS . 0.1 OUTLIER -175.17 -128.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . 0.973 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 10.6 p80 -167.51 -176.64 0.48 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . 0.973 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.2 Cg_endo -74.99 -40.03 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . 0.503 ' O ' ' CG1' ' A' ' 472' ' ' ILE . 1.5 mt -45.09 -20.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' LEU . . . . . 0.492 ' N ' ' C ' ' A' ' 467' ' ' PRO . 0.0 OUTLIER -90.44 -55.98 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -48.52 -28.64 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -75.51 -54.16 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.0 OUTLIER -41.81 -57.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' TYR . . . . . 0.594 ' CE1' ' HE2' ' A' ' 457' ' ' LYS . 7.5 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 210' ' ' ASP . . . . . 0.702 ' HA ' ' HB2' ' A' ' 213' ' ' ALA . 3.3 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.75 ' HA ' HD22 ' A' ' 419' ' ' LEU . 0.1 OUTLIER -59.51 -55.99 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 212' ' ' ARG . . . . . 0.471 ' O ' ' HB3' ' A' ' 216' ' ' LYS . 17.3 mmt-85 -95.63 -19.38 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 213' ' ' ALA . . . . . 0.702 ' HB2' ' HA ' ' A' ' 210' ' ' ASP . . . -75.3 -65.59 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 214' ' ' LEU . . . . . 0.489 HD21 ' CB ' ' A' ' 416' ' ' ALA . 29.7 tp -61.16 -47.74 84.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 215' ' ' ALA . . . . . 0.587 ' CB ' ' O ' ' A' ' 211' ' ' LEU . . . -44.01 -67.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 216' ' ' LYS . . . . . 0.662 ' O ' ' CB ' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -38.45 -36.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 217' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 14.9 t60 -80.52 -70.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.593 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 218' ' ' LEU . . . . . 0.73 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 0.3 OUTLIER -42.86 -52.33 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 219' ' ' TYR . . . . . 0.547 ' CD2' HG12 ' A' ' 223' ' ' ILE . 5.0 t80 -69.46 -28.77 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.956 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 220' ' ' ASP . . . . . 0.662 ' CB ' ' O ' ' A' ' 216' ' ' LYS . 0.4 OUTLIER -57.47 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 221' ' ' SER . . . . . 0.901 ' OG ' ' HD1' ' A' ' 299' ' ' TYR . 3.6 p -52.75 -27.73 19.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 222' ' ' TYR . . . . . 0.703 ' HB2' ' CE1' ' A' ' 299' ' ' TYR . 30.3 t80 -69.53 -56.19 8.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 223' ' ' ILE . . . . . 0.599 HD13 ' CD2' ' A' ' 222' ' ' TYR . 5.8 mm -56.11 -8.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 220' ' ' ASP . 0.6 OUTLIER -96.9 -41.11 8.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 225' ' ' SER . . . . . 0.587 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 43.0 t -63.13 -89.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 226' ' ' PHE . . . . . 0.541 ' CD2' ' HE1' ' A' ' 329' ' ' MET . 0.6 OUTLIER -76.08 114.48 37.83 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.984 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -45.5 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.17 88.44 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 229' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 381' ' ' ASP . 25.2 p -81.85 -165.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . 0.547 ' HB2' ' CB ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -74.6 -25.53 59.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 231' ' ' ALA . . . . . 0.452 ' N ' ' OD1' ' A' ' 381' ' ' ASP . . . -73.68 -41.51 62.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 232' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -73.45 -41.25 63.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 233' ' ' ALA . . . . . 0.564 ' CB ' ' HG ' ' A' ' 340' ' ' LEU . . . -66.35 -46.57 76.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 234' ' ' ARG . . . . . 0.941 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -76.82 -1.17 26.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . 1.113 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -80.94 -53.83 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -35.78 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 237' ' ' LEU . . . . . 0.676 ' HA ' ' HD3' ' A' ' 246' ' ' PRO . 0.3 OUTLIER -60.13 -20.42 58.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 238' ' ' THR . . . . . 0.483 ' HB ' ' O ' ' A' ' 237' ' ' LEU . 0.9 OUTLIER 171.78 30.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.356 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 239' ' ' GLY . . . . . 1.113 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . 0.676 ' HD3' ' HA ' ' A' ' 237' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 247' ' ' PHE . . . . . 0.709 ' O ' ' CD1' ' A' ' 347' ' ' PHE . 0.7 OUTLIER -107.56 -133.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 248' ' ' VAL . . . . . 0.798 HG23 ' H ' ' A' ' 347' ' ' PHE . 0.7 OUTLIER 51.43 -159.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 249' ' ' ILE . . . . . 1.188 ' O ' ' HA ' ' A' ' 348' ' ' MET . 1.1 pt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 276' ' ' GLU . . . . . 0.709 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 277' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 356' ' ' LEU . 3.1 p -41.27 -27.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 278' ' ' ALA . . . . . 0.595 ' HB3' ' CB ' ' A' ' 360' ' ' PHE . . . -69.74 -73.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 0.518 ' CD1' ' OE1' ' A' ' 276' ' ' GLU . 1.2 mp -36.04 -31.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 280' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -76.19 -58.98 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 281' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 285' ' ' CYS . 1.1 mp -64.36 -47.43 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 282' ' ' PHE . . . . . 0.684 ' HB2' ' CD2' ' A' ' 360' ' ' PHE . 5.4 t80 -52.45 -47.08 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 283' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 1.5 tt0 -60.36 -35.79 76.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 284' ' ' GLY . . . . . 0.503 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -84.75 -54.53 2.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 285' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.7 OUTLIER -51.0 -16.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 286' ' ' GLN . . . . . 0.503 ' N ' ' C ' ' A' ' 284' ' ' GLY . 25.2 tt0 -110.29 -26.17 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 287' ' ' PHE . . . . . 0.619 ' CZ ' ' CD ' ' A' ' 291' ' ' GLU . 20.8 t80 -52.03 -30.48 25.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -20.19 63.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 35.2 t -88.47 -54.02 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 290' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.3 m -51.57 -32.36 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . 0.619 ' CD ' ' CZ ' ' A' ' 287' ' ' PHE . 51.6 mt-10 -77.24 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 295' ' ' GLU . . . -33.59 -59.28 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . 0.45 ' CG2' HG23 ' A' ' 322' ' ' VAL . 8.9 t -38.87 -46.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 294' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.5 mt-30 -73.25 -26.22 61.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 295' ' ' GLU . . . . . 0.676 ' N ' ' O ' ' A' ' 292' ' ' ALA . 15.2 mm-40 -77.13 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 296' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' A' ' 300' ' ' ALA . 4.4 mp -39.63 -63.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 297' ' ' THR . . . . . 0.483 HG22 ' CD ' ' A' ' 301' ' ' LYS . 0.9 OUTLIER -42.06 -58.92 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -27.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 299' ' ' TYR . . . . . 0.901 ' HD1' ' OG ' ' A' ' 221' ' ' SER . 0.2 OUTLIER -103.03 -57.57 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.785 ' C ' ' H ' ' A' ' 302' ' ' SER . . . -44.06 -44.46 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 301' ' ' LYS . . . . . 0.483 ' CD ' HG22 ' A' ' 297' ' ' THR . 14.5 mttm -46.81 -2.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 302' ' ' SER . . . . . 0.785 ' H ' ' C ' ' A' ' 300' ' ' ALA . 1.2 p -74.08 -41.42 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 303' ' ' ILE . . . . . 0.595 ' CG2' ' CG2' ' A' ' 409' ' ' ILE . 1.1 mt -62.54 121.52 67.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.31 3.59 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . 0.616 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -174.41 -27.43 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 306' ' ' PHE . . . . . 0.836 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 45.9 t80 -54.44 -63.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 307' ' ' VAL . . . . . 0.481 ' O ' ' NE2' ' A' ' 314' ' ' GLN . 0.1 OUTLIER -69.75 -20.17 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -74.99 -12.61 60.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.836 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 12.1 mt -60.87 -108.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 310' ' ' ASP . . . . . 0.746 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.3 t70 -140.88 151.83 44.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -48.08 74.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 312' ' ' ASN . . . . . 0.672 ' HB2' ' CD1' ' A' ' 401' ' ' LEU . 3.4 m-80 -79.62 -52.11 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 313' ' ' ASP . . . . . 0.746 ' CB ' ' HB3' ' A' ' 310' ' ' ASP . 40.2 t0 -44.09 -39.48 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 314' ' ' GLN . . . . . 0.799 ' O ' ' CD2' ' A' ' 317' ' ' LEU . 27.3 mt-30 -73.06 -32.49 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 315' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 312' ' ' ASN . 5.6 t -83.2 -34.78 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 316' ' ' THR . . . . . 0.674 ' CG2' ' HA ' ' A' ' 400' ' ' LEU . 0.9 OUTLIER -73.12 -44.31 60.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 317' ' ' LEU . . . . . 0.799 ' CD2' ' O ' ' A' ' 314' ' ' GLN . 0.2 OUTLIER -66.19 -28.17 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 318' ' ' LEU . . . . . 0.689 ' N ' HD22 ' A' ' 317' ' ' LEU . 0.2 OUTLIER -76.61 -48.26 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -26.69 37.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 320' ' ' TYR . . . . . 0.48 ' O ' ' NH2' ' A' ' 443' ' ' ARG . 13.1 m-85 -116.4 -0.46 12.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 321' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -115.04 -56.49 0.36 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 322' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 326' ' ' ILE . 1.8 p -42.68 -24.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 323' ' ' HIS . . . . . 0.59 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 19.8 m170 -71.16 -51.47 24.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 324' ' ' GLU . . . . . 0.692 ' O ' ' HB ' ' A' ' 328' ' ' THR . 22.0 mt-10 -73.31 7.39 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 325' ' ' ILE . . . . . 0.671 ' O ' HG21 ' A' ' 328' ' ' THR . 1.2 mp -108.64 -48.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 326' ' ' ILE . . . . . 0.645 ' O ' ' HB2' ' A' ' 330' ' ' LEU . 3.2 mt -74.79 -38.8 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.618 ' CD2' HG23 ' A' ' 446' ' ' VAL . 22.4 m-85 -76.13 -17.47 59.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' THR . . . . . 0.692 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 0.7 OUTLIER -76.37 -58.72 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.444 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' MET . . . . . 0.607 ' N ' ' CG2' ' A' ' 328' ' ' THR . 9.3 ptm -81.04 -16.46 53.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.645 ' HB2' ' O ' ' A' ' 326' ' ' ILE . 1.7 mt -47.97 -56.13 8.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 331' ' ' ALA . . . . . 0.653 ' O ' ' HB2' ' A' ' 334' ' ' MET . . . -37.24 -50.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' SER . . . . . 0.941 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 34.2 m -59.53 -46.24 89.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . 0.548 ' CD1' ' N ' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -76.11 10.94 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' MET . . . . . 0.656 ' CE ' ' HB3' ' A' ' 367' ' ' LYS . 0.0 OUTLIER -108.21 -176.1 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' ASN . . . . . 0.591 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.9 t-20 -148.18 168.17 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' LYS . . . . . 0.591 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.2 OUTLIER -46.73 -57.46 4.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' ASP . . . . . 0.588 ' O ' ' HA ' ' A' ' 349' ' ' THR . 1.3 m-20 -133.65 41.93 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . 0.743 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -167.64 179.97 40.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . 0.688 ' O ' HG21 ' A' ' 341' ' ' ILE . 0.5 OUTLIER -137.16 128.99 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.584 ' CD1' ' HG3' ' A' ' 246' ' ' PRO . 2.7 mm? -49.89 117.37 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' ILE . . . . . 0.732 HG21 ' N ' ' A' ' 348' ' ' MET . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 346' ' ' GLY . . . . . 0.715 ' HA3' ' CG1' ' A' ' 248' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' PHE . . . . . 0.798 ' H ' HG23 ' A' ' 248' ' ' VAL . 0.0 OUTLIER -169.23 176.32 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' MET . . . . . 1.188 ' HA ' ' O ' ' A' ' 249' ' ' ILE . 23.7 ttm -96.25 87.5 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' THR . . . . . 0.743 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 1.4 p -56.66 142.3 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 350' ' ' ARG . . . . . 0.846 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 5.9 ttp85 -58.6 -53.37 59.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 351' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 355' ' ' SER . 3.9 pt-20 -41.74 -23.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 352' ' ' PHE . . . . . 0.705 ' CE1' ' CD1' ' A' ' 249' ' ' ILE . 2.5 t80 -84.46 -69.14 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 353' ' ' LEU . . . . . 0.559 ' O ' ' CG ' ' A' ' 356' ' ' LEU . 0.3 OUTLIER -43.38 -54.72 4.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 354' ' ' LYS . . . . . 0.579 ' O ' ' N ' ' A' ' 356' ' ' LEU . 1.0 OUTLIER -58.79 -46.55 87.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 355' ' ' SER . . . . . 0.505 ' HB2' ' O ' ' A' ' 351' ' ' GLU . 1.0 OUTLIER -52.62 82.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 356' ' ' LEU . . . . . 0.616 ' O ' ' C ' ' A' ' 357' ' ' ARG . 0.3 OUTLIER 165.18 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 357' ' ' ARG . . . . . 0.709 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.0 OUTLIER -17.02 123.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 358' ' ' LYS . . . . . 0.771 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.1 OUTLIER -40.44 -49.76 6.79 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 359' ' ' PRO . . . . . 0.771 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.5 Cg_endo -74.9 -76.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 360' ' ' PHE . . . . . 0.684 ' CD2' ' HB2' ' A' ' 282' ' ' PHE . 2.2 m-30 -48.46 -12.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 361' ' ' GLY . . . . . 0.622 ' N ' ' O ' ' A' ' 357' ' ' ARG . . . -104.95 38.92 3.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 362' ' ' ASP . . . . . 0.432 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 37.8 p30 -177.56 42.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 363' ' ' PHE . . . . . 0.555 ' O ' ' CG ' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -124.78 0.64 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 364' ' ' MET . . . . . 0.636 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 2.1 tpt -110.21 -3.42 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 365' ' ' GLU . . . . . 0.846 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 2.6 tp10 -67.66 -31.54 3.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 366' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.92 -29.23 8.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.8 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 367' ' ' LYS . . . . . 0.656 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 0.0 OUTLIER -68.72 -57.15 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 368' ' ' PHE . . . . . 0.423 ' CE2' ' CA ' ' A' ' 338' ' ' GLY . 6.0 m-30 -59.15 -42.45 90.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -53.52 -47.64 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 370' ' ' PHE . . . . . 0.772 ' CE1' ' CD1' ' A' ' 374' ' ' PHE . 27.9 t80 -54.81 -46.45 74.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 371' ' ' ALA . . . . . 0.609 ' HB1' ' CA ' ' A' ' 331' ' ' ALA . . . -64.81 -25.76 68.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -21.44 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 373' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 370' ' ' PHE . 0.0 OUTLIER -105.43 -22.43 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 374' ' ' PHE . . . . . 0.772 ' CD1' ' CE1' ' A' ' 370' ' ' PHE . 0.2 OUTLIER -89.91 -38.52 13.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 375' ' ' ASN . . . . . 0.497 ' O ' ' HG2' ' A' ' 378' ' ' GLU . 2.4 m120 -59.22 -6.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 374' ' ' PHE . . . -84.5 24.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.618 ' O ' ' C ' ' A' ' 378' ' ' GLU . 0.7 OUTLIER -156.09 10.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 378' ' ' GLU . . . . . 0.618 ' C ' ' O ' ' A' ' 377' ' ' LEU . 0.0 OUTLIER -17.17 93.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 379' ' ' LEU . . . . . 0.5 HD11 ' CD2' ' A' ' 384' ' ' LEU . 0.1 OUTLIER -82.46 -139.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 380' ' ' ASP . . . . . 0.622 ' OD2' ' CD2' ' A' ' 425' ' ' HIS . 1.2 p-10 -136.96 133.42 35.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 381' ' ' ASP . . . . . 0.473 ' CG ' ' HB ' ' A' ' 229' ' ' THR . 22.0 m-20 -39.16 -26.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 382' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 380' ' ' ASP . 0.0 OUTLIER -57.94 -55.55 33.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 383' ' ' ASP . . . . . 0.58 ' OD2' ' NE2' ' A' ' 425' ' ' HIS . 0.5 OUTLIER -70.73 -30.7 67.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 3.4 mt -70.32 -57.81 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 385' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 222' ' ' TYR . . . -39.06 -63.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 382' ' ' SER . 1.1 mt -52.25 -50.4 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 387' ' ' PHE . . . . . 0.587 ' CZ ' HD21 ' A' ' 435' ' ' LEU . 0.4 OUTLIER -36.2 -54.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 388' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 392' ' ' ILE . 1.7 mp -41.66 -50.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . 0.543 ' HA ' ' CG2' ' A' ' 392' ' ' ILE . . . -60.35 -41.22 93.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . 0.459 ' O ' ' NE2' ' A' ' 410' ' ' GLN . 5.6 t -67.99 -6.85 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . 0.697 HG22 ' O ' ' A' ' 391' ' ' ILE . 7.7 mt -124.35 -1.49 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 392' ' ' ILE . . . . . 0.682 ' O ' ' N ' ' A' ' 394' ' ' SER . 2.5 tp -100.65 -41.0 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . 0.863 HD11 ' HA ' ' A' ' 406' ' ' ILE . 1.0 OUTLIER -62.7 46.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 394' ' ' SER . . . . . 0.732 ' CB ' HG23 ' A' ' 406' ' ' ILE . 51.0 m 55.09 -98.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 395' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 394' ' ' SER . . . 32.76 39.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 396' ' ' ASP . . . . . 0.547 ' OD1' ' HB2' ' A' ' 397' ' ' ARG . 0.4 OUTLIER -104.02 -72.09 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 0.778 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 397' ' ' ARG . . . . . 0.679 ' HB3' ' HD2' ' A' ' 398' ' ' PRO . 0.0 OUTLIER -147.64 176.68 2.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . 0.679 ' HD2' ' HB3' ' A' ' 397' ' ' ARG . 18.4 Cg_endo -74.98 44.45 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . 0.636 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . -128.18 45.88 1.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.674 ' HA ' ' CG2' ' A' ' 316' ' ' THR . 0.7 OUTLIER -128.29 -146.5 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 0.787 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 401' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 313' ' ' ASP . 15.1 mt -135.41 -72.85 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . 1.066 ' O ' ' CG1' ' A' ' 406' ' ' ILE . 2.3 m120 -103.78 78.42 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 403' ' ' VAL . . . . . 0.748 ' HA ' ' CD1' ' A' ' 406' ' ' ILE . 0.8 OUTLIER -73.69 -8.36 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.753 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.5 OUTLIER -74.58 -50.43 4.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . 0.952 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -74.98 -15.23 20.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . 1.066 ' CG1' ' O ' ' A' ' 402' ' ' ASN . 0.0 OUTLIER -91.72 -79.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 403' ' ' VAL . 26.3 mt-10 -41.22 -26.92 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . 0.753 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 24.6 m-20 -73.44 -55.9 5.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' ILE . . . . . 0.664 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 23.7 mm -55.11 -21.62 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . 0.588 ' HG3' ' HB3' ' A' ' 393' ' ' LEU . 0.1 OUTLIER -73.19 -44.32 59.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -42.41 -26.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . 0.441 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.2 OUTLIER -84.69 -56.65 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . 0.592 ' CD1' ' CD2' ' A' ' 393' ' ' LEU . 0.2 OUTLIER -51.16 -40.44 58.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.421 HD13 HG12 ' A' ' 390' ' ' VAL . 5.4 tp -59.3 -51.1 71.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.569 ' O ' ' HB3' ' A' ' 419' ' ' LEU . 38.6 mt-30 -50.55 -58.2 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.547 ' HA ' HD21 ' A' ' 419' ' ' LEU . . . -56.78 -44.65 82.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' LEU . . . . . 0.691 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -46.91 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' GLU . . . . . 0.61 ' HB3' ' CG ' ' A' ' 432' ' ' PHE . 0.3 OUTLIER -52.17 -20.11 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.75 HD22 ' HA ' ' A' ' 211' ' ' LEU . 0.0 OUTLIER -68.01 -86.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' GLN . . . . . 0.732 ' O ' ' HB3' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -56.53 -8.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.592 ' C ' ' CD2' ' A' ' 421' ' ' LEU . 0.0 OUTLIER -87.21 -55.7 3.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 426' ' ' PRO . 0.0 OUTLIER -94.81 22.37 6.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 419' ' ' LEU . 93.7 mt -129.48 -38.51 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.732 ' HB3' ' O ' ' A' ' 420' ' ' GLN . 0.0 OUTLIER -96.08 -10.6 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.761 ' O ' ' CG ' ' A' ' 425' ' ' HIS . 0.7 OUTLIER -178.95 65.96 0.17 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.589 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.569 ' HA ' ' HA ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.96 -163.57 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.42 -50.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.33 -153.55 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 5.7 m -94.96 -52.44 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -110.08 24.79 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 430' ' ' GLN . 1.2 tm? -37.99 -29.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' PHE . . . . . 0.622 ' CG ' ' N ' ' A' ' 433' ' ' ALA . 0.1 OUTLIER -83.7 -48.63 9.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' ALA . . . . . 0.622 ' N ' ' CG ' ' A' ' 432' ' ' PHE . . . -46.59 -23.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . 0.572 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 12.3 ptmt -96.83 -47.81 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' LEU . . . . . 0.587 HD21 ' CZ ' ' A' ' 387' ' ' PHE . 0.3 OUTLIER -39.12 -38.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.557 HD22 ' CE1' ' A' ' 387' ' ' PHE . 2.7 mt -76.79 -47.14 22.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 2.7 mm100 -47.53 -11.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' LYS . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 374' ' ' PHE . 0.0 OUTLIER -51.26 -27.63 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' MET . . . . . 0.558 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -25.29 -44.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.7 OUTLIER -33.79 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.563 ' O ' ' CG1' ' A' ' 445' ' ' ILE . 0.6 OUTLIER -63.85 -17.03 62.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' LEU . . . . . 0.587 ' CD1' ' HB2' ' A' ' 327' ' ' TYR . 0.1 OUTLIER -74.34 -78.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 439' ' ' MET . 0.2 OUTLIER -53.36 -19.92 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 440' ' ' THR . 7.9 mm100 -67.39 -64.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.573 ' CD1' ' O ' ' A' ' 366' ' ' PRO . 0.9 OUTLIER -44.54 -43.8 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.618 HG23 ' CD2' ' A' ' 327' ' ' TYR . 8.7 t -53.01 -72.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 444' ' ' GLN . 8.4 t -43.78 -25.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 445' ' ' ILE . 4.2 mt-10 -80.59 -56.47 4.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -28.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' VAL . . . . . 0.733 ' O ' ' N ' ' A' ' 454' ' ' GLN . 59.4 t -86.81 -48.9 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' GLN . . . . . 0.52 ' O ' ' CG2' ' A' ' 455' ' ' VAL . 39.8 mt-30 -40.57 -28.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 363' ' ' PHE . 7.5 mt -86.75 -66.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.373 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.478 ' HA ' HG22 ' A' ' 456' ' ' ILE . 1.3 tp -60.0 -14.48 16.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' GLN . . . . . 0.733 ' N ' ' O ' ' A' ' 450' ' ' VAL . 33.3 tt0 -84.38 -49.01 9.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 451' ' ' GLN . 94.5 t -70.53 -7.79 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' ILE . . . . . 0.975 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -103.72 -60.17 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' LYS . . . . . 0.623 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 0.3 OUTLIER -39.85 -34.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 0.7 OUTLIER -89.23 -40.53 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.2 OUTLIER -121.44 39.57 3.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.975 ' N ' ' O ' ' A' ' 456' ' ' ILE . 4.4 mm-40 -42.53 132.76 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -38.67 -29.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 460' ' ' GLU . 0.8 OUTLIER 172.06 64.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 26.7 ttt 62.43 154.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 465' ' ' LEU . 1.4 t -160.32 152.68 20.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.654 ' CD1' ' CD2' ' A' ' 466' ' ' HIS . 0.2 OUTLIER 37.27 -116.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' HIS . . . . . 0.934 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 15.9 p80 -158.16 -176.54 0.63 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.559 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . 0.934 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.4 Cg_endo -75.02 -50.88 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.421 1.748 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . 0.614 ' N ' ' HD1' ' A' ' 466' ' ' HIS . 1.8 mt -41.77 -21.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 467' ' ' PRO . 0.2 OUTLIER -85.98 -57.01 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -47.39 -30.5 3.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -70.23 -52.25 24.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 468' ' ' LEU . 0.7 OUTLIER -48.39 -59.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' TYR . . . . . 0.489 ' OH ' ' CG1' ' A' ' 450' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.614 ' O ' ' C ' ' A' ' 208' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' SER . . . . . 0.704 ' O ' ' C ' ' A' ' 209' ' ' ALA . 5.1 m -19.66 -69.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.8 ' O ' ' CB ' ' A' ' 213' ' ' ALA . . . 2.8 -109.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' ASP . . . . . 0.579 ' HA ' ' HB1' ' A' ' 213' ' ' ALA . 17.0 m-20 -90.27 -10.9 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.688 ' CD1' ' C ' ' A' ' 211' ' ' LEU . 0.1 OUTLIER -46.66 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . 0.449 ' N ' HD13 ' A' ' 211' ' ' LEU . 0.2 OUTLIER -87.86 -14.81 38.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . 0.8 ' CB ' ' O ' ' A' ' 209' ' ' ALA . . . -74.58 -63.37 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . 0.503 ' HB3' ' O ' ' A' ' 210' ' ' ASP . 15.6 tp -56.03 -50.25 71.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -44.72 -60.96 1.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . 0.667 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -54.07 -28.05 36.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' HIS . . . . . 0.596 ' HA ' ' HB2' ' A' ' 220' ' ' ASP . 32.6 t60 -75.87 -68.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.591 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.697 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 0.2 OUTLIER -37.78 -54.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' TYR . . . . . 0.573 ' CZ ' HD13 ' A' ' 223' ' ' ILE . 4.8 t80 -69.77 -29.45 66.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . 0.667 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 0.3 OUTLIER -60.02 -76.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' SER . . . . . 0.756 ' OG ' ' CB ' ' A' ' 302' ' ' SER . 67.6 p -51.46 -27.63 10.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' TYR . . . . . 0.781 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 16.2 t80 -74.68 -52.59 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.573 HD13 ' CZ ' ' A' ' 219' ' ' TYR . 0.6 OUTLIER -57.13 -6.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . 0.508 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -100.42 -43.45 6.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' SER . . . . . 0.593 ' OG ' ' O ' ' A' ' 295' ' ' GLU . 44.8 t -65.8 -82.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' PHE . . . . . 0.612 ' CD2' ' HE2' ' A' ' 329' ' ' MET . 1.2 t80 -115.0 110.87 45.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.65 14.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.55 ' HB2' ' CE1' ' A' ' 226' ' ' PHE . 0.2 OUTLIER -57.74 109.38 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' THR . . . . . 0.645 ' O ' ' N ' ' A' ' 233' ' ' ALA . 76.2 p -137.85 -177.65 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . 0.796 ' CG ' ' HB3' ' A' ' 332' ' ' SER . 0.5 OUTLIER -64.56 -26.93 68.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 235' ' ' ALA . . . -78.78 -23.93 44.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' LYS . . . . . 0.524 ' O ' HG12 ' A' ' 236' ' ' ILE . 1.6 mttm -99.8 -34.02 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' ALA . . . . . 0.645 ' N ' ' O ' ' A' ' 229' ' ' THR . . . -72.71 -51.57 18.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . 0.688 ' N ' ' HD2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -75.62 -9.15 58.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . 0.963 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -80.78 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.56 ' CG1' ' HB3' ' A' ' 246' ' ' PRO . 19.5 pt -61.43 -41.69 90.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 237' ' ' LEU . . . . . 0.56 ' CD1' ' NH1' ' A' ' 234' ' ' ARG . 14.6 mt -46.81 -27.98 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' THR . . . . . . . . . . . . . 5.2 t -173.54 -30.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . 0.963 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -88.55 61.24 3.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 240' ' ' LYS . . . . . 0.686 ' CG ' ' O ' ' A' ' 239' ' ' GLY . 0.0 OUTLIER 147.4 -154.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' THR . . . . . 0.619 ' CG2' ' O ' ' A' ' 240' ' ' LYS . 1.8 t 49.68 42.63 23.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.441 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 242' ' ' THR . 0.4 OUTLIER 62.12 13.61 5.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 243' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.19 73.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 244' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 245' ' ' SER . 0.6 OUTLIER -156.16 -53.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 245' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 244' ' ' LYS . 3.3 p 158.61 152.8 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . 0.7 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo -74.97 128.44 11.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 247' ' ' PHE . . . . . 0.699 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 2.0 t80 -12.26 77.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.7 ' N ' ' O ' ' A' ' 246' ' ' PRO . 3.8 t -53.03 138.39 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 249' ' ' ILE . . . . . 0.542 HG12 ' CZ ' ' A' ' 247' ' ' PHE . 0.2 OUTLIER -120.57 106.99 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 250' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 249' ' ' ILE . 7.9 t80 166.09 -28.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 255' ' ' LEU . 3.7 p30 -84.19 145.78 28.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 251' ' ' ASP . 2.8 tmm? -36.01 -51.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.42 ' CB ' ' OD1' ' A' ' 251' ' ' ASP . 1.5 t30 -49.46 -66.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 254' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 248' ' ' VAL . 23.9 p -60.04 -57.79 11.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 251' ' ' ASP . 6.1 tt -40.3 -40.89 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' MET . . . . . 0.477 ' C ' ' H ' ' A' ' 258' ' ' GLY . 0.1 OUTLIER -68.21 -65.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' MET . . . . . 0.597 ' O ' ' HB2' ' A' ' 261' ' ' LYS . 0.0 OUTLIER -58.62 -3.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.051 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' GLY . . . . . 0.509 ' O ' ' CG1' ' A' ' 262' ' ' ILE . . . -99.5 -77.75 1.33 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.509 ' OE2' ' NE ' ' A' ' 280' ' ' ARG . 1.2 mt-10 -55.44 -10.94 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 264' ' ' PHE . 4.2 m-20 -99.3 -51.56 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 261' ' ' LYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 257' ' ' MET . 18.4 mmmt -77.72 -77.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.51 HG13 ' N ' ' A' ' 263' ' ' LYS . 0.9 OUTLIER -40.81 -30.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.51 ' N ' HG13 ' A' ' 262' ' ' ILE . 0.5 OUTLIER -94.06 -81.29 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 264' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 260' ' ' ASP . 72.4 t80 55.44 164.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 264' ' ' PHE . 18.3 tttt 36.68 87.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 266' ' ' HIS . . . . . 0.494 ' O ' ' CG ' ' A' ' 266' ' ' HIS . 18.4 p-80 -160.31 60.76 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.565 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 28.6 mm -120.18 107.39 20.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 268' ' ' THR . . . . . 0.64 HG21 ' N ' ' A' ' 269' ' ' PRO . 0.4 OUTLIER -149.97 173.71 4.07 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . 0.64 ' N ' HG21 ' A' ' 268' ' ' THR . 18.1 Cg_endo -74.98 51.72 2.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.561 ' HG ' ' CG2' ' A' ' 268' ' ' THR . 0.2 OUTLIER -88.6 -105.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 271' ' ' GLN . . . . . 0.445 ' O ' ' O ' ' A' ' 270' ' ' LEU . 15.2 pt20 42.11 -167.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 67.69 -70.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 273' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 271' ' ' GLN . 0.0 OUTLIER -163.96 71.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 274' ' ' SER . . . . . 0.511 ' O ' ' C ' ' A' ' 275' ' ' LYS . 3.8 t -147.89 158.46 44.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.968 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 274' ' ' SER . 0.0 OUTLIER 31.2 80.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.364 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 276' ' ' GLU . . . . . 0.616 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 1.2 pt-20 -72.81 177.35 4.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' VAL . . . . . . . . . . . . . 15.4 t -51.55 -16.58 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . 0.706 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -83.47 -68.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 0.513 ' C ' ' O ' ' A' ' 278' ' ' ALA . 1.3 mp -31.59 -36.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 278' ' ' ALA . 4.6 mtp180 -77.41 -54.72 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' ILE . . . . . 0.618 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.6 OUTLIER -74.31 -47.68 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' PHE . . . . . 0.797 ' CD2' ' CZ ' ' A' ' 360' ' ' PHE . 0.5 OUTLIER -50.26 -44.74 53.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 283' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 78.2 mt-30 -67.01 -36.43 82.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 284' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -81.17 -57.14 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 285' ' ' CYS . . . . . 0.618 ' N ' ' O ' ' A' ' 281' ' ' ILE . 1.7 p -55.23 -15.47 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 286' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 3.4 tt0 -107.89 -23.31 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 287' ' ' PHE . . . . . 0.708 ' CE1' ' CG ' ' A' ' 291' ' ' GLU . 8.9 t80 -50.73 -48.26 59.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . 0.569 ' NH2' ' CE2' ' A' ' 287' ' ' PHE . 2.1 mmp_? -48.18 -21.88 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.45 -59.61 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 290' ' ' VAL . . . . . . . . . . . . . 3.0 m -53.27 -23.77 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . 0.708 ' CG ' ' CE1' ' A' ' 287' ' ' PHE . 30.2 mt-10 -78.5 -61.52 1.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . 0.676 ' CB ' HG12 ' A' ' 326' ' ' ILE . . . -34.44 -56.83 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 292' ' ' ALA . 17.1 t -39.33 -46.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.546 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.8 mt-30 -72.35 -29.37 63.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 292' ' ' ALA . 6.7 mm-40 -76.72 -57.15 4.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 300' ' ' ALA . 2.2 mp -37.75 -63.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -40.07 -60.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.47 -27.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' TYR . . . . . 0.781 ' CZ ' ' HB2' ' A' ' 222' ' ' TYR . 0.8 OUTLIER -108.14 -33.83 7.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.776 ' N ' ' O ' ' A' ' 296' ' ' ILE . . . -61.82 -56.35 20.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -50.78 -1.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' SER . . . . . 0.756 ' CB ' ' OG ' ' A' ' 221' ' ' SER . 8.2 p -73.49 -39.01 65.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' ILE . . . . . 0.52 HG23 ' CG2' ' A' ' 409' ' ' ILE . 1.7 mt -56.92 129.47 78.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 47.46 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . 0.593 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -167.35 -27.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.779 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 65.6 t80 -55.34 -60.25 3.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -23.76 33.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -73.55 -14.06 61.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.779 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.2 mt -69.91 -109.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' ASP . . . . . 0.694 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -144.77 151.32 38.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -46.99 79.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . 0.528 ' CB ' HD13 ' A' ' 401' ' ' LEU . 14.0 m-80 -78.46 -50.49 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' ASP . . . . . 0.694 ' CB ' ' HB3' ' A' ' 310' ' ' ASP . 43.6 t0 -47.49 -53.23 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' GLN . . . . . 0.577 ' NE2' ' N ' ' A' ' 310' ' ' ASP . 11.8 mt-30 -50.71 -47.21 59.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.84 -50.19 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.759 HG21 ' HA ' ' A' ' 400' ' ' LEU . 1.3 m -42.15 -59.35 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' LEU . . . . . 0.775 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.3 OUTLIER -50.53 -56.34 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' LEU . . . . . 0.497 ' CD2' ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -54.48 -49.87 69.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -41.49 -42.77 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' TYR . . . . . 0.515 ' O ' ' HD2' ' A' ' 397' ' ' ARG . 11.1 m-85 -113.37 5.15 16.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' GLY . . . . . 0.775 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -107.4 -54.3 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 326' ' ' ILE . 2.9 p -37.16 -32.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . 0.605 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 17.7 m170 -56.65 -68.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' GLU . . . . . 0.848 ' O ' ' HB ' ' A' ' 328' ' ' THR . 0.9 OUTLIER -58.86 -2.98 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' ILE . . . . . 0.677 ' O ' HG21 ' A' ' 328' ' ' THR . 1.1 mp -93.92 -61.14 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' ILE . . . . . 0.928 ' O ' ' HB2' ' A' ' 330' ' ' LEU . 38.9 mt -56.65 -40.89 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.605 ' CD2' ' O ' ' A' ' 323' ' ' HIS . 23.6 m-85 -78.31 -21.31 49.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' THR . . . . . 0.848 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 0.6 OUTLIER -56.82 -58.73 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' MET . . . . . 0.612 ' HE2' ' CD2' ' A' ' 226' ' ' PHE . 11.7 ptm -90.17 -31.51 17.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.928 ' HB2' ' O ' ' A' ' 326' ' ' ILE . 0.4 OUTLIER -35.84 -64.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' ALA . . . . . 0.708 ' C ' ' HB3' ' A' ' 371' ' ' ALA . . . -34.0 -49.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' SER . . . . . 0.796 ' HB3' ' CG ' ' A' ' 230' ' ' LYS . 0.8 OUTLIER -59.1 -48.06 82.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . 0.578 ' N ' ' O ' ' A' ' 330' ' ' LEU . 0.1 OUTLIER -77.52 31.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' MET . . . . . 0.656 ' HG2' ' O ' ' A' ' 330' ' ' LEU . 2.9 mmt -108.76 173.44 6.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' ASN . . . . . 0.725 ' O ' ' CD1' ' A' ' 368' ' ' PHE . 3.0 t-20 -140.19 167.87 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' LYS . . . . . 0.765 ' O ' ' CZ ' ' A' ' 368' ' ' PHE . 0.1 OUTLIER -58.29 -45.24 88.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' ASP . . . . . 0.628 ' HA ' ' NH1' ' A' ' 350' ' ' ARG . 1.6 m-20 -135.45 42.23 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . 0.84 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -175.88 178.22 47.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . 0.635 ' O ' HG21 ' A' ' 341' ' ' ILE . 17.0 m -148.73 129.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.544 ' CD2' ' CD1' ' A' ' 237' ' ' LEU . 1.9 mm? -52.87 127.13 22.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' ILE . . . . . 0.678 HG22 ' N ' ' A' ' 348' ' ' MET . 0.3 OUTLIER -126.48 129.8 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' SER . . . . . 0.506 ' O ' ' O ' ' A' ' 341' ' ' ILE . 27.8 t -36.27 -96.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.576 ' C ' ' H ' ' A' ' 345' ' ' GLN . 0.0 OUTLIER 34.61 -148.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . 0.441 ' N ' ' OE1' ' A' ' 343' ' ' GLU . . . -71.09 28.75 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' GLN . . . . . 0.576 ' H ' ' C ' ' A' ' 343' ' ' GLU . 4.4 mp0 68.24 73.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . 0.699 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . -136.19 -136.81 3.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.623 ' CE1' HG21 ' A' ' 349' ' ' THR . 3.2 p90 -178.03 143.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 0.735 . . . . 0.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.678 ' N ' HG22 ' A' ' 341' ' ' ILE . 4.1 mtp -91.5 115.08 27.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' THR . . . . . 0.84 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 2.3 p -71.56 155.7 40.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.431 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . 0.872 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 0.0 OUTLIER -69.0 -52.92 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' GLU . . . . . 0.5 ' O ' ' OG ' ' A' ' 355' ' ' SER . 8.2 mm-40 -46.81 -19.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' PHE . . . . . 0.58 ' CD2' ' HE1' ' A' ' 348' ' ' MET . 6.5 t80 -89.14 -74.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' LEU . . . . . 0.611 ' O ' ' CG ' ' A' ' 356' ' ' LEU . 0.3 OUTLIER -41.03 -54.54 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' LYS . . . . . 0.655 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.4 OUTLIER -57.56 -49.2 77.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 351' ' ' GLU . 1.7 m -51.28 78.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 354' ' ' LYS . 0.7 OUTLIER 165.81 -159.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' ARG . . . . . 0.616 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.0 OUTLIER -29.95 127.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' LYS . . . . . 0.743 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -44.12 -47.05 23.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.743 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.02 -78.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.444 1.76 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' PHE . . . . . 0.797 ' CZ ' ' CD2' ' A' ' 282' ' ' PHE . 2.0 m-85 -45.7 -13.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . 0.644 ' C ' ' HA ' ' A' ' 354' ' ' LYS . . . -92.41 45.86 2.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 362' ' ' ASP . . . . . 0.423 ' HA ' ' HG3' ' A' ' 354' ' ' LYS . 21.5 t0 178.15 58.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 363' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -124.95 33.45 5.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 364' ' ' MET . . . . . 0.747 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 0.0 OUTLIER -157.03 -42.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . 0.872 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 0.8 OUTLIER -46.5 -39.02 12.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . 0.747 ' HD2' ' C ' ' A' ' 364' ' ' MET . 18.2 Cg_endo -74.96 -26.58 10.87 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 367' ' ' LYS . . . . . 0.628 ' CB ' ' CE ' ' A' ' 334' ' ' MET . 11.9 mttt -73.52 -57.03 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 368' ' ' PHE . . . . . 0.765 ' CZ ' ' O ' ' A' ' 336' ' ' LYS . 0.0 OUTLIER -58.97 -50.94 72.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 368' ' ' PHE . 2.0 tt0 -48.19 -52.7 19.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' PHE . . . . . 0.722 ' CD2' ' CD1' ' A' ' 445' ' ' ILE . 3.3 m-85 -55.5 -35.56 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . 0.708 ' HB3' ' C ' ' A' ' 331' ' ' ALA . . . -64.18 -45.74 87.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -50.71 -21.81 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 370' ' ' PHE . 0.0 OUTLIER -107.47 -20.97 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 374' ' ' PHE . . . . . 0.65 ' CZ ' ' CD2' ' A' ' 442' ' ' LEU . 0.7 OUTLIER -89.29 -35.31 16.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 371' ' ' ALA . 19.4 m120 -49.34 -15.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . 0.501 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -88.75 36.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.598 HD21 ' CG ' ' A' ' 374' ' ' PHE . 1.1 pp -160.52 2.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . 0.484 ' OE1' ' OG ' ' A' ' 332' ' ' SER . 3.9 mt-10 -104.05 113.24 26.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 425' ' ' HIS . 4.2 mm? -81.96 -111.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . 0.6 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 27.9 p30 -106.37 141.16 38.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . 0.492 ' CG ' ' HB ' ' A' ' 229' ' ' THR . 8.7 m-20 -35.94 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' SER . . . . . 0.6 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 3.3 m -58.71 -61.82 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.046 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . 0.54 ' CG ' ' OD1' ' A' ' 380' ' ' ASP . 4.4 m-20 -60.27 -27.79 67.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 4.2 mt -75.86 -55.25 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . 0.686 ' CB ' ' CD2' ' A' ' 222' ' ' TYR . . . -38.16 -40.87 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 389' ' ' ALA . 14.5 mt -71.98 -49.0 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . 0.529 ' CE2' HD21 ' A' ' 436' ' ' LEU . 6.9 t80 -39.35 -58.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' ILE . . . . . 0.534 ' CG1' ' CG2' ' A' ' 325' ' ' ILE . 8.1 tt -43.81 -33.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 386' ' ' ILE . . . -74.78 -42.36 58.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 387' ' ' PHE . 59.0 t -59.35 -11.65 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.605 ' C ' HD13 ' A' ' 325' ' ' ILE . 4.2 mp -113.69 -20.68 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' ILE . . . . . 0.613 ' O ' ' N ' ' A' ' 394' ' ' SER . 0.2 OUTLIER -69.08 -52.94 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . 0.747 ' CD1' ' HB ' ' A' ' 409' ' ' ILE . 3.1 mm? -64.54 53.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' SER . . . . . 0.613 ' N ' ' O ' ' A' ' 392' ' ' ILE . 0.5 OUTLIER 28.49 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 393' ' ' LEU . . . 55.63 20.18 23.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' ASP . . . . . 0.457 ' HB3' ' NH2' ' A' ' 397' ' ' ARG . 0.3 OUTLIER 167.91 35.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' ARG . . . . . 0.61 ' CG ' ' OG ' ' A' ' 394' ' ' SER . 1.4 mmt180 -118.52 127.54 26.51 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.333 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 133.89 17.17 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.458 1.768 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . 0.589 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . 91.09 31.46 9.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.759 ' HA ' HG21 ' A' ' 316' ' ' THR . 2.4 mt -78.85 175.14 10.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.564 HD13 ' N ' ' A' ' 313' ' ' ASP . 30.9 mt -117.31 -68.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . 1.057 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 1.4 m120 -106.82 75.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' VAL . . . . . 0.735 ' HA ' HD13 ' A' ' 406' ' ' ILE . 1.2 t -65.67 -7.72 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.681 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 12.3 mtmt -78.02 -54.01 1.35 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . 1.057 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -74.97 -38.81 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . 0.762 ' CD1' ' O ' ' A' ' 402' ' ' ASN . 3.8 mt -57.53 -71.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.21 -23.18 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . 0.681 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 49.5 m-20 -74.72 -51.59 13.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' ILE . . . . . 0.747 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 4.7 mm -56.43 -22.37 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . 0.612 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -74.33 -45.77 45.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -44.12 -25.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . 0.434 ' N ' ' C ' ' A' ' 410' ' ' GLN . 12.5 t30 -84.42 -66.52 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 409' ' ' ILE . 0.1 OUTLIER -42.85 -41.22 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.522 ' CD2' ' CE2' ' A' ' 432' ' ' PHE . 0.2 OUTLIER -60.12 -48.93 79.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.613 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 39.4 mt-30 -50.46 -55.54 15.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 419' ' ' LEU . . . -52.77 -45.52 67.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . 0.751 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -49.15 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' GLU . . . . . 0.699 ' HB2' ' CG ' ' A' ' 432' ' ' PHE . 7.2 tm-20 -55.4 -19.1 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 211' ' ' LEU . 0.3 OUTLIER -68.62 -84.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' GLN . . . . . 0.717 ' NE2' ' ND2' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -57.36 -8.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' A' ' 417' ' ' LEU . 9.6 tt -91.89 -50.54 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 0.7 OUTLIER -71.36 -2.37 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 419' ' ' LEU . 10.5 mt -104.9 -45.44 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.717 ' ND2' ' NE2' ' A' ' 420' ' ' GLN . 50.9 m-20 -73.41 -9.11 58.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.576 ' CD2' ' HG ' ' A' ' 379' ' ' LEU . 0.0 OUTLIER -167.28 69.28 0.95 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.56 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.601 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.2 Cg_endo -75.05 115.49 4.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 428' ' ' SER . 16.4 pt-20 -174.56 125.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 427' ' ' GLU . 0.3 OUTLIER 84.06 -166.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 431' ' ' LEU . 53.0 m -129.73 154.69 46.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 433' ' ' ALA . 0.0 OUTLIER 39.97 27.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 429' ' ' SER . 34.0 tp -40.13 -43.19 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' PHE . . . . . 0.699 ' CG ' ' HB2' ' A' ' 418' ' ' GLU . 25.8 p90 -72.58 -37.69 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' ALA . . . . . 0.562 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -56.33 -25.22 48.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.401 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 10.5 ptmt -104.25 -17.93 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' LEU . . . . . 0.627 ' HB3' ' HA ' ' A' ' 432' ' ' PHE . 0.1 OUTLIER -82.71 -30.72 28.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.6 ' O ' ' HG2' ' A' ' 439' ' ' MET . 79.9 mt -75.71 -43.9 44.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 3.0 mt-30 -43.43 -16.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 436' ' ' LEU . 1.3 mmpp? -50.79 -24.66 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' MET . . . . . 0.607 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -28.05 -41.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 438' ' ' LYS . 66.6 p -33.86 -74.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 110.413 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.618 ' O ' HG13 ' A' ' 445' ' ' ILE . 0.2 OUTLIER -57.9 -24.27 56.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.65 ' CD2' ' CZ ' ' A' ' 374' ' ' PHE . 0.1 OUTLIER -73.76 -76.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . 0.607 ' N ' ' O ' ' A' ' 439' ' ' MET . 6.9 ttp180 -49.7 -18.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 440' ' ' THR . 7.2 mm-40 -69.65 -65.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.722 ' CD1' ' CD2' ' A' ' 370' ' ' PHE . 0.3 OUTLIER -43.17 -43.37 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.582 HG22 ' CD2' ' A' ' 327' ' ' TYR . 10.6 t -51.94 -69.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 444' ' ' GLN . 8.9 t -45.27 -24.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 446' ' ' VAL . 8.0 mt-10 -80.48 -53.41 6.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -43.92 -29.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.538 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' VAL . . . . . 0.816 ' O ' ' N ' ' A' ' 454' ' ' GLN . 4.0 t -86.51 -47.75 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' GLN . . . . . 0.438 ' O ' ' CG2' ' A' ' 455' ' ' VAL . 44.5 mt-30 -40.15 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.589 ' HB2' ' CE1' ' A' ' 363' ' ' PHE . 7.8 mt -89.43 -57.46 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.618 ' HA ' ' CG1' ' A' ' 456' ' ' ILE . 5.0 tp -70.15 -7.33 40.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . 0.816 ' N ' ' O ' ' A' ' 450' ' ' VAL . 2.2 tp60 -94.69 -46.83 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 451' ' ' GLN . 77.3 t -69.85 -14.3 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.64 ' O ' ' N ' ' A' ' 460' ' ' GLU . 2.4 pp -99.13 -52.61 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . 0.616 ' HB3' ' O ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -56.46 -16.39 5.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.74 ' HG3' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -113.68 -22.1 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' THR . . . . . 0.435 ' O ' ' CG2' ' A' ' 459' ' ' THR . 3.0 m -153.89 56.79 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.2 mm-40 -51.14 172.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -69.61 -29.62 67.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 461' ' ' THR . 3.2 t0 168.97 46.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' MET . . . . . 0.471 ' O ' ' CB ' ' A' ' 464' ' ' SER . 0.5 OUTLIER 59.14 145.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 463' ' ' MET . 0.6 OUTLIER 161.35 44.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.034 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.514 ' CD2' ' C ' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -138.5 169.72 17.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . 1.078 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 8.1 p80 -119.28 -172.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.618 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . 1.078 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.98 -43.75 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 0.6 OUTLIER -47.04 -18.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 0.0 109.365 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . 0.75 ' CD2' ' CE1' ' A' ' 466' ' ' HIS . 13.5 mt -93.86 -55.64 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -47.51 -29.37 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 467' ' ' PRO . 35.5 mt-10 -75.72 -51.5 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.1 mm -46.33 -57.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' TYR . . . . . 0.536 ' CZ ' ' HD3' ' A' ' 457' ' ' LYS . 1.4 t80 -55.52 -51.49 66.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.95 161.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -92.02 159.94 15.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 8.8 tt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 207' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' SER . . . . . 0.699 ' O ' ' C ' ' A' ' 209' ' ' ALA . 3.6 m -65.4 -59.83 3.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.973 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.699 ' C ' ' O ' ' A' ' 208' ' ' SER . . . -8.2 -63.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 214' ' ' LEU . 0.0 OUTLIER -86.57 -57.37 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' A' ' 419' ' ' LEU . 0.2 OUTLIER -40.88 -63.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 208' ' ' SER . 9.7 mmt180 -56.05 -37.91 69.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -69.89 -60.51 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . 0.673 ' N ' ' O ' ' A' ' 210' ' ' ASP . 0.3 OUTLIER -49.53 -34.3 17.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 217' ' ' HIS . . . -53.1 -70.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . 0.804 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -35.59 -34.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 220' ' ' ASP . 40.4 t60 -69.43 -66.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.646 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.805 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 0.1 OUTLIER -34.33 -56.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' TYR . . . . . 1.071 ' CE1' ' HA ' ' A' ' 382' ' ' SER . 59.9 m-85 -73.56 -26.41 60.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . 0.804 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 9.2 t0 -56.83 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' SER . . . . . 0.582 ' HB3' ' CB ' ' A' ' 302' ' ' SER . 14.6 t -53.0 -27.38 18.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 222' ' ' TYR . . . . . 0.811 ' CD2' ' CE2' ' A' ' 299' ' ' TYR . 0.8 OUTLIER -74.91 -47.3 30.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 111.036 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.599 ' N ' ' O ' ' A' ' 219' ' ' TYR . 1.1 mp -55.96 -10.66 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 220' ' ' ASP . 1.2 mptp? -98.0 -44.7 6.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 225' ' ' SER . . . . . 0.58 ' OG ' ' O ' ' A' ' 295' ' ' GLU . 43.3 t -62.91 -84.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 226' ' ' PHE . . . . . 0.624 ' CZ ' ' HB3' ' A' ' 228' ' ' LEU . 6.1 t80 -113.42 96.47 39.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 227' ' ' PRO . . . . . 0.632 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.2 Cg_endo -75.02 -18.92 18.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.624 ' HB3' ' CZ ' ' A' ' 226' ' ' PHE . 0.9 OUTLIER -61.85 65.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 229' ' ' THR . . . . . 0.632 ' N ' ' O ' ' A' ' 227' ' ' PRO . 12.4 p -86.64 -162.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . 0.561 ' HB2' ' CB ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -80.34 -27.08 38.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -78.87 -42.09 28.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 232' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 227' ' ' PRO . 3.9 mttp -74.72 -36.81 62.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 233' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 229' ' ' THR . . . -69.84 -42.66 73.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . 0.672 ' N ' ' HD2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -77.73 -4.8 48.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . 1.044 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -83.24 -56.32 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.697 ' HA ' ' CG2' ' A' ' 241' ' ' THR . 19.8 pt -73.3 -35.2 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 237' ' ' LEU . . . . . 0.619 HD11 ' CD2' ' A' ' 340' ' ' LEU . 12.7 mt -54.17 -29.45 45.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 238' ' ' THR . . . . . 0.49 ' HA ' ' CB ' ' A' ' 244' ' ' LYS . 1.4 t 176.63 25.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.443 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . 1.044 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -116.2 50.36 0.79 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 240' ' ' LYS . . . . . 0.988 ' HB2' ' O ' ' A' ' 239' ' ' GLY . 0.0 OUTLIER 102.17 -115.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 241' ' ' THR . . . . . 0.697 ' CG2' ' HA ' ' A' ' 236' ' ' ILE . 1.6 t 51.35 58.64 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.371 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.525 ' CG2' ' N ' ' A' ' 243' ' ' ASP . 0.4 OUTLIER 80.22 -58.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.386 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 243' ' ' ASP . . . . . 0.553 ' O ' ' O ' ' A' ' 244' ' ' LYS . 0.7 OUTLIER -166.47 67.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 244' ' ' LYS . . . . . 0.688 ' N ' ' O ' ' A' ' 240' ' ' LYS . 0.0 OUTLIER 31.4 95.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.247 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 245' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 244' ' ' LYS . 0.9 OUTLIER 158.36 104.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . 0.776 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.4 Cg_endo -74.97 124.99 9.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 247' ' ' PHE . . . . . 0.638 ' C ' ' O ' ' A' ' 246' ' ' PRO . 12.3 t80 -11.59 73.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.776 ' N ' ' O ' ' A' ' 246' ' ' PRO . 2.8 t -50.49 139.03 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 249' ' ' ILE . . . . . 0.502 ' CG2' ' HG2' ' A' ' 348' ' ' MET . 0.1 OUTLIER -129.08 105.48 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 250' ' ' TYR . . . . . 0.488 ' CB ' HG23 ' A' ' 349' ' ' THR . 0.1 OUTLIER 177.93 -30.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . 0.502 ' N ' ' OG ' ' A' ' 254' ' ' SER . 0.3 OUTLIER -64.99 173.75 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.346 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 252' ' ' MET . . . . . . . . . . . . . 33.6 mtt -60.11 -40.02 88.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -61.1 -48.06 83.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 254' ' ' SER . . . . . 0.502 ' OG ' ' N ' ' A' ' 251' ' ' ASP . 1.4 p -58.52 -67.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 255' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.66 -50.22 3.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 256' ' ' MET . . . . . 0.516 ' O ' ' CB ' ' A' ' 260' ' ' ASP . 1.8 ttm -53.75 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 257' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 261' ' ' LYS . 26.2 ptm -52.49 -12.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 258' ' ' GLY . . . . . 0.507 ' HA2' ' HB ' ' A' ' 262' ' ' ILE . . . -85.65 -94.66 0.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.534 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 0.9 OUTLIER -45.09 -21.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 256' ' ' MET . 4.4 t70 -95.77 -64.4 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 261' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 257' ' ' MET . 0.7 OUTLIER -95.96 55.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.522 HG23 ' N ' ' A' ' 263' ' ' LYS . 0.7 OUTLIER -169.24 -38.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.522 ' N ' HG23 ' A' ' 262' ' ' ILE . 0.1 OUTLIER -102.37 -27.65 12.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 264' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 260' ' ' ASP . 0.7 OUTLIER -36.47 -45.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 266' ' ' HIS . 26.6 tttt -46.92 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 266' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 265' ' ' LYS . 9.1 p-80 54.99 171.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.55 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 7.2 mm -88.89 -76.29 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 268' ' ' THR . . . . . 0.648 HG23 ' N ' ' A' ' 269' ' ' PRO . 0.5 OUTLIER -137.35 174.69 4.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.446 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . 0.648 ' N ' HG23 ' A' ' 268' ' ' THR . 18.2 Cg_endo -74.98 50.15 2.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.561 ' HG ' ' CG2' ' A' ' 268' ' ' THR . 0.2 OUTLIER -86.54 -99.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 271' ' ' GLN . . . . . 0.51 ' O ' ' CG ' ' A' ' 271' ' ' GLN . 1.9 pt20 29.38 46.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 270' ' ' LEU . 0.0 OUTLIER -59.16 80.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 273' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 271' ' ' GLN . 1.0 OUTLIER 45.79 25.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 89.4 p -126.24 62.14 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -144.07 142.51 30.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 276' ' ' GLU . . . . . 0.577 ' CG ' ' H ' ' A' ' 278' ' ' ALA . 0.2 OUTLIER -137.64 164.66 28.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 277' ' ' VAL . . . . . 0.494 ' O ' ' CG ' ' A' ' 280' ' ' ARG . 2.8 t -50.47 -32.19 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . 0.721 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -77.98 -70.25 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 0.612 ' C ' ' O ' ' A' ' 278' ' ' ALA . 0.4 OUTLIER -22.31 -45.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . 0.652 ' N ' ' O ' ' A' ' 278' ' ' ALA . 1.5 ptt180 -75.83 -55.18 5.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 281' ' ' ILE . . . . . 0.639 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.4 OUTLIER -70.93 -44.41 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 282' ' ' PHE . . . . . 0.795 ' CE1' ' CE2' ' A' ' 360' ' ' PHE . 0.1 OUTLIER -51.67 -48.87 63.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 283' ' ' GLN . . . . . 0.539 ' HG3' ' N ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -57.81 -36.07 71.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 284' ' ' GLY . . . . . 0.539 ' N ' ' HG3' ' A' ' 283' ' ' GLN . . . -82.56 -56.45 2.8 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 285' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 353' ' ' LEU . 1.5 m -54.02 -14.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 286' ' ' GLN . . . . . 0.473 ' N ' ' C ' ' A' ' 284' ' ' GLY . 33.5 tp60 -107.55 -24.5 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 287' ' ' PHE . . . . . 0.62 ' CD2' ' OE2' ' A' ' 291' ' ' GLU . 17.1 t80 -55.07 -28.73 54.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -21.31 65.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 13.4 t -87.11 -59.59 2.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 290' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 293' ' ' VAL . 27.3 m -50.23 -22.84 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . 0.635 ' O ' ' N ' ' A' ' 294' ' ' GLN . 46.2 mt-10 -82.77 -59.19 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . 0.63 ' CB ' HG12 ' A' ' 326' ' ' ILE . . . -31.99 -57.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 290' ' ' VAL . 1.5 p -43.61 -45.44 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.635 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.7 mt-30 -72.16 -26.3 62.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 295' ' ' GLU . . . . . 0.58 ' O ' ' OG ' ' A' ' 225' ' ' SER . 5.7 mt-10 -78.98 -61.58 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . 0.547 ' CG2' ' CD1' ' A' ' 392' ' ' ILE . 3.6 mt -40.85 -66.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 297' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 299' ' ' TYR . 0.9 OUTLIER -40.52 -63.41 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 110.434 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.83 -26.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 299' ' ' TYR . . . . . 0.811 ' CE2' ' CD2' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -102.68 -55.68 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 1.032 ' O ' ' N ' ' A' ' 302' ' ' SER . . . -34.11 -49.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -37.66 0.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 302' ' ' SER . . . . . 1.032 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -75.47 -39.86 58.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 303' ' ' ILE . . . . . 0.535 HG22 ' CG2' ' A' ' 409' ' ' ILE . 0.9 OUTLIER -61.81 130.72 92.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 304' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.5 Cg_endo -74.98 48.02 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.427 1.751 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . 0.802 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -169.6 -30.39 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.661 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 52.1 t80 -44.51 -63.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -28.58 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -76.74 -0.52 24.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.802 ' HG ' ' O ' ' A' ' 305' ' ' GLY . 25.9 mt -81.79 -71.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 310' ' ' ASP . . . . . 0.757 ' HB3' ' HB3' ' A' ' 313' ' ' ASP . 6.2 t0 178.23 158.06 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . 0.44 ' O ' ' CG2' ' A' ' 315' ' ' VAL . 0.2 OUTLIER -73.75 -46.01 48.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . 0.705 ' O ' ' N ' ' A' ' 316' ' ' THR . 21.4 m-80 -81.53 -58.7 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' ASP . . . . . 0.781 ' HB3' ' NE2' ' A' ' 314' ' ' GLN . 50.1 t0 -35.4 -59.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 314' ' ' GLN . . . . . 0.781 ' NE2' ' HB3' ' A' ' 313' ' ' ASP . 0.0 OUTLIER -60.58 -45.61 93.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 315' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 311' ' ' LEU . 6.6 t -63.65 -36.79 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.705 ' N ' ' O ' ' A' ' 312' ' ' ASN . 1.0 OUTLIER -60.89 -61.32 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 317' ' ' LEU . . . . . 0.885 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.3 OUTLIER -44.54 -47.81 10.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 318' ' ' LEU . . . . . 0.495 ' CD2' ' HA ' ' A' ' 293' ' ' VAL . 0.3 OUTLIER -62.61 -50.24 72.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -42.62 -28.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 320' ' ' TYR . . . . . 0.476 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 1.1 m-85 -132.87 5.97 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 321' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -106.17 -45.68 1.24 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.573 1.171 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 326' ' ' ILE . 4.3 p -39.11 -28.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . 0.513 ' O ' ' CG ' ' A' ' 327' ' ' TYR . 70.7 m-70 -66.21 -44.47 83.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 324' ' ' GLU . . . . . 0.956 ' HA ' ' CE1' ' A' ' 327' ' ' TYR . 23.2 mt-10 -76.15 4.19 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 325' ' ' ILE . . . . . 0.775 ' O ' HG22 ' A' ' 328' ' ' THR . 0.9 OUTLIER -109.77 -44.46 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' ILE . . . . . 0.705 ' O ' ' HB2' ' A' ' 330' ' ' LEU . 3.8 mt -76.29 -37.4 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.983 ' CE2' ' HB3' ' A' ' 442' ' ' LEU . 0.0 OUTLIER -77.5 -5.23 49.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' THR . . . . . 0.927 ' N ' ' HD1' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -87.82 -56.99 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' MET . . . . . 0.583 ' N ' ' CG2' ' A' ' 328' ' ' THR . 4.9 ptt? -85.46 -21.03 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.705 ' HB2' ' O ' ' A' ' 326' ' ' ILE . 1.6 mt -39.96 -63.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' ALA . . . . . 0.688 ' HA ' ' SD ' ' A' ' 334' ' ' MET . . . -30.45 -56.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' SER . . . . . 0.561 ' CB ' ' HB2' ' A' ' 230' ' ' LYS . 67.2 m -59.27 -49.58 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 330' ' ' LEU . 0.2 OUTLIER -66.07 -12.46 55.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' MET . . . . . 0.814 ' CE ' ' HB3' ' A' ' 367' ' ' LYS . 5.3 mtp -90.17 174.76 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' ASN . . . . . 0.643 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.7 t-20 -140.45 171.0 14.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' LYS . . . . . 0.643 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -51.06 -57.97 7.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' ASP . . . . . 0.529 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 1.7 m-20 -126.93 37.63 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . 0.826 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -167.82 172.71 42.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . 0.75 ' CG1' ' CE1' ' A' ' 368' ' ' PHE . 14.2 m -151.94 129.11 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.619 ' CD2' HD11 ' A' ' 237' ' ' LEU . 0.8 OUTLIER -35.66 157.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' ILE . . . . . 0.758 HG22 ' HA ' ' A' ' 347' ' ' PHE . 3.1 pt -154.16 136.15 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' SER . . . . . 0.535 ' O ' ' C ' ' A' ' 343' ' ' GLU . 0.4 OUTLIER 50.35 75.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.535 ' C ' ' O ' ' A' ' 342' ' ' SER . 2.8 pm0 -27.8 105.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 111.93 -6.07 27.41 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' GLN . . . . . 0.574 ' O ' ' HB2' ' A' ' 247' ' ' PHE . 25.7 mm-40 -95.69 -96.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.75 . . . . 0.0 110.249 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . 0.605 ' HA3' ' HB3' ' A' ' 247' ' ' PHE . . . -150.75 -122.63 1.08 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.758 ' HA ' HG22 ' A' ' 341' ' ' ILE . 8.1 p90 -160.32 149.43 17.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.593 ' N ' ' CG2' ' A' ' 341' ' ' ILE . 1.4 mmm -97.51 114.61 26.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' THR . . . . . 0.826 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 1.5 p -64.97 154.58 37.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . 0.86 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 21.4 ttm180 -62.52 -51.52 67.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' GLU . . . . . 0.646 ' HA ' ' HD2' ' A' ' 354' ' ' LYS . 29.4 mm-40 -38.61 -24.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' PHE . . . . . 0.548 ' N ' ' O ' ' A' ' 350' ' ' ARG . 0.3 OUTLIER -88.15 -68.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' LEU . . . . . 0.754 ' O ' ' CD1' ' A' ' 356' ' ' LEU . 0.2 OUTLIER -54.63 -22.67 14.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' LYS . . . . . 0.646 ' HD2' ' HA ' ' A' ' 351' ' ' GLU . 0.1 OUTLIER -85.27 -43.77 13.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' SER . . . . . 0.439 ' N ' ' HD3' ' A' ' 354' ' ' LYS . 9.6 m -66.88 72.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' LEU . . . . . 0.991 ' HB2' ' CA ' ' A' ' 361' ' ' GLY . 4.1 mt -141.87 -120.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 357' ' ' ARG . . . . . 0.846 ' H ' ' HA3' ' A' ' 361' ' ' GLY . 19.7 ptt180 -124.79 156.2 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' LYS . . . . . 0.821 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -29.06 -64.87 0.17 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 1.161 ' O ' ' N ' ' A' ' 361' ' ' GLY . 18.3 Cg_endo -75.0 172.76 15.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.77 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' PHE . . . . . 0.795 ' CE2' ' CE1' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -0.67 44.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 111.023 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . 1.161 ' N ' ' O ' ' A' ' 359' ' ' PRO . . . -141.48 -25.07 0.21 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 362' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' A' ' 358' ' ' LYS . 0.7 OUTLIER -154.21 48.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 363' ' ' PHE . . . . . 0.6 ' CG ' ' CD1' ' A' ' 452' ' ' LEU . 5.2 m-85 -129.09 20.73 5.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 364' ' ' MET . . . . . 0.694 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 0.0 OUTLIER -94.2 1.47 56.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . 0.86 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 0.1 OUTLIER -61.96 -32.68 10.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.99 -25.08 12.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 367' ' ' LYS . . . . . 0.814 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 2.4 mptt -70.4 -59.28 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 368' ' ' PHE . . . . . 0.75 ' CE1' ' CG1' ' A' ' 339' ' ' VAL . 2.4 m-30 -59.63 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -55.27 -45.3 76.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 370' ' ' PHE . . . . . 0.622 ' CZ ' ' HB3' ' A' ' 331' ' ' ALA . 0.1 OUTLIER -50.89 -48.72 60.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . 0.643 ' CB ' ' HA ' ' A' ' 331' ' ' ALA . . . -60.1 -47.43 85.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 24.6 t -61.3 -13.26 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.83 -24.44 12.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 374' ' ' PHE . . . . . 0.513 ' HB2' ' CE1' ' A' ' 370' ' ' PHE . 54.9 t80 -90.44 -40.31 12.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . 0.542 ' ND2' ' OE1' ' A' ' 378' ' ' GLU . 1.5 m-80 -55.18 -11.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -89.39 31.06 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 379' ' ' LEU . 1.2 pp -168.79 3.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . 0.542 ' OE1' ' ND2' ' A' ' 375' ' ' ASN . 87.6 mt-10 -64.69 162.4 15.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . 0.632 ' HG ' ' CE1' ' A' ' 425' ' ' HIS . 3.7 mm? -134.26 -106.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . 0.671 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 0.6 OUTLIER -130.26 147.24 51.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 385' ' ' ALA . 93.6 m-20 -40.65 -29.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 382' ' ' SER . . . . . 1.071 ' HA ' ' CE1' ' A' ' 219' ' ' TYR . 0.1 OUTLIER -51.97 -66.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . 0.496 ' OD2' ' CB ' ' A' ' 379' ' ' LEU . 2.5 m-20 -59.74 -28.42 67.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 3.9 mt -74.39 -76.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . 0.625 ' N ' ' O ' ' A' ' 381' ' ' ASP . . . -32.13 -62.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.533 HG13 ' CZ ' ' A' ' 219' ' ' TYR . 3.5 mt -40.3 -68.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 391' ' ' ILE . 0.2 OUTLIER -33.57 -50.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 388' ' ' ILE . . . . . 0.61 HG23 ' CE2' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -47.57 -58.46 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . 0.502 ' N ' ' CG2' ' A' ' 388' ' ' ILE . . . -58.62 -28.71 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 413' ' ' LEU . 4.0 t -78.82 -25.29 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.646 HG21 ' C ' ' A' ' 324' ' ' GLU . 17.5 mt -77.09 -25.15 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' ILE . . . . . 0.602 ' C ' ' H ' ' A' ' 394' ' ' SER . 0.8 OUTLIER -83.11 -49.5 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . 0.779 ' HB3' ' CB ' ' A' ' 410' ' ' GLN . 0.1 OUTLIER -69.22 15.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' SER . . . . . 0.602 ' H ' ' C ' ' A' ' 392' ' ' ILE . 63.6 m -92.39 111.28 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' GLY . . . . . 0.53 ' HA2' ' CD1' ' A' ' 400' ' ' LEU . . . -82.21 68.31 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -106.77 -21.57 12.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' ARG . . . . . 0.533 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -66.48 125.66 90.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 6.56 3.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . 0.53 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . -125.81 34.93 3.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.557 ' HB3' ' OD1' ' A' ' 313' ' ' ASP . 27.7 mt -92.33 168.86 11.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.619 ' HB2' ' HB2' ' A' ' 313' ' ' ASP . 25.8 mt -108.4 -64.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . 1.102 ' O ' HD11 ' A' ' 406' ' ' ILE . 1.7 m120 -109.24 93.8 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.59 -5.81 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.54 ' N ' ' CD ' ' A' ' 405' ' ' PRO . 0.0 OUTLIER -81.87 -50.16 0.88 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . 0.75 ' CG ' ' HB3' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.0 -19.71 17.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . 1.102 HD11 ' O ' ' A' ' 402' ' ' ASN . 0.5 OUTLIER -81.14 -46.84 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -74.49 -18.48 60.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . 0.484 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 86.9 m-20 -81.75 -51.05 8.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' ILE . . . . . 0.629 ' O ' ' HG ' ' A' ' 413' ' ' LEU . 19.7 mm -61.21 -23.3 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . 0.779 ' CB ' ' HB3' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -82.65 -37.53 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.348 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.14 -23.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.8 OUTLIER -87.66 -56.36 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 409' ' ' ILE . 1.1 mt -49.68 -40.78 41.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.442 HD13 ' CG1' ' A' ' 390' ' ' VAL . 7.2 tp -62.19 -53.48 54.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 39.8 mt-30 -46.0 -47.73 16.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.585 ' HA ' HD13 ' A' ' 211' ' ' LEU . . . -54.89 -54.82 37.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . 0.735 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -41.14 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' GLU . . . . . 0.618 ' HB2' ' CD2' ' A' ' 432' ' ' PHE . 0.2 OUTLIER -52.14 -28.52 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.599 ' CD1' ' HG ' ' A' ' 211' ' ' LEU . 3.5 tt -69.16 -77.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' GLN . . . . . 0.658 ' NE2' HD21 ' A' ' 424' ' ' ASN . 0.0 OUTLIER -53.73 -8.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' A' ' 419' ' ' LEU . 0.6 OUTLIER -89.52 -46.45 8.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . 0.754 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 1.5 mmtt -79.39 6.03 11.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.507 ' CD1' ' HG ' ' A' ' 419' ' ' LEU . 10.5 mt -119.08 -39.37 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.663 ' OD1' ' CD2' ' A' ' 425' ' ' HIS . 45.0 p-10 -82.6 -13.09 57.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.663 ' CD2' ' OD1' ' A' ' 424' ' ' ASN . 13.9 p80 177.33 71.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.754 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.1 Cg_endo -75.02 140.96 26.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -129.36 13.97 6.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.88 67.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 13.9 t -166.71 -142.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -113.64 30.08 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 430' ' ' GLN . 20.1 tp -37.41 -31.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' PHE . . . . . 0.711 ' CD1' HD11 ' A' ' 417' ' ' LEU . 0.2 OUTLIER -85.99 -50.3 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' ALA . . . . . 0.577 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -48.19 -21.84 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.564 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.5 OUTLIER -96.91 -48.15 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 438' ' ' LYS . 0.5 OUTLIER -39.8 -37.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.572 ' CD2' ' CE1' ' A' ' 432' ' ' PHE . 2.6 pp -77.75 -45.38 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 1.0 OUTLIER -48.18 -12.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 440' ' ' THR . 0.1 OUTLIER -52.89 -22.46 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' MET . . . . . 0.651 ' HA ' ' HB2' ' A' ' 442' ' ' LEU . 0.0 OUTLIER -31.1 -33.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.586 ' N ' ' O ' ' A' ' 438' ' ' LYS . 71.8 p -35.03 -100.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.747 ' O ' ' CD1' ' A' ' 445' ' ' ILE . 0.0 OUTLIER -52.02 -22.83 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.983 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 0.1 OUTLIER -64.63 -86.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 439' ' ' MET . 2.6 ttt180 -53.48 -9.7 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 440' ' ' THR . 5.0 mm-40 -70.98 -88.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.747 ' CD1' ' O ' ' A' ' 441' ' ' ASP . 0.0 OUTLIER -36.99 -46.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 447' ' ' THR . 2.5 t -48.17 -69.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' THR . . . . . 0.433 ' N ' HG13 ' A' ' 446' ' ' VAL . 14.5 t -51.2 -19.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -53.56 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' HIS . . . . . 0.507 ' CD2' HG21 ' A' ' 450' ' ' VAL . 0.0 OUTLIER -44.01 -33.95 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.603 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' VAL . . . . . 0.615 ' O ' ' N ' ' A' ' 454' ' ' GLN . 39.6 t -83.57 -51.22 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -23.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.6 ' CD1' ' CG ' ' A' ' 363' ' ' PHE . 11.0 mt -85.4 -72.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.582 ' HA ' HG23 ' A' ' 456' ' ' ILE . 0.2 OUTLIER -57.8 -16.75 12.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . 0.615 ' N ' ' O ' ' A' ' 450' ' ' VAL . 11.6 tt0 -80.07 -56.55 4.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.412 ' O ' ' CG1' ' A' ' 455' ' ' VAL . 48.3 t -70.6 -0.21 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.827 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -107.22 -60.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . 0.623 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 3.1 pttt -45.41 -24.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 1.1 mmmm -99.51 -39.36 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.19 47.19 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.827 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.2 mm-40 -42.68 132.25 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' THR . . . . . 0.524 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -37.07 -30.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.369 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 461' ' ' THR . 2.1 t70 168.2 59.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' MET . . . . . 0.448 ' O ' ' CB ' ' A' ' 464' ' ' SER . 7.2 ttt 61.35 131.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 463' ' ' MET . 0.5 OUTLIER 163.76 83.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -166.23 167.13 16.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . 0.978 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 32.2 p80 -116.81 -176.0 0.35 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . 0.978 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.91 -53.42 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.533 ' N ' ' HD1' ' A' ' 466' ' ' HIS . 10.3 mt -56.42 -8.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . 0.596 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 2.0 tp -87.73 -56.04 3.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.26 -29.83 67.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 467' ' ' PRO . 39.7 mt-10 -72.79 -69.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 469' ' ' LEU . 2.6 pp -37.92 -57.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' TYR . . . . . 0.635 ' C ' ' CD1' ' A' ' 473' ' ' TYR . 0.0 OUTLIER -48.31 -51.41 26.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.97 142.11 3.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -63.9 -67.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' A' ' 210' ' ' ASP . 4.7 tt0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 211' ' ' LEU . 8.2 m -62.42 -62.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.961 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.533 ' O ' ' HB2' ' A' ' 213' ' ' ALA . . . -33.45 -39.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 213' ' ' ALA . 0.0 OUTLIER -86.99 -45.25 10.94 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.589 ' CD1' ' HA ' ' A' ' 416' ' ' ALA . 0.1 OUTLIER -40.14 -54.37 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . 0.467 ' NH1' ' HB2' ' A' ' 420' ' ' GLN . 3.0 tpm_? -73.8 -27.15 60.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 209' ' ' ALA . . . -67.54 -57.06 7.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . 0.494 ' O ' ' HB3' ' A' ' 217' ' ' HIS . 0.5 OUTLIER -46.43 -45.87 18.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -46.61 -61.68 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . 0.564 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -45.43 -32.1 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' HIS . . . . . 0.6 ' HA ' ' HB2' ' A' ' 220' ' ' ASP . 57.0 t60 -71.69 -67.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.633 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.827 ' O ' ' HB2' ' A' ' 222' ' ' TYR . 2.9 mt -38.46 -57.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' TYR . . . . . 0.631 ' CD2' ' CB ' ' A' ' 385' ' ' ALA . 4.7 t80 -67.88 -27.59 66.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . 0.6 ' HB2' ' HA ' ' A' ' 217' ' ' HIS . 0.4 OUTLIER -60.09 -74.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' SER . . . . . 0.588 ' CB ' ' HB3' ' A' ' 302' ' ' SER . 13.3 t -54.89 -25.36 28.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 222' ' ' TYR . . . . . 0.87 ' CD1' ' CD2' ' A' ' 299' ' ' TYR . 0.7 OUTLIER -78.1 -47.02 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.657 ' CD1' ' O ' ' A' ' 223' ' ' ILE . 0.0 OUTLIER -56.87 -12.48 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . 0.518 ' CD ' HG22 ' A' ' 223' ' ' ILE . 2.8 mptp? -95.9 -42.12 8.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 225' ' ' SER . . . . . 0.598 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 34.4 t -58.0 -80.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 226' ' ' PHE . . . . . 0.844 ' CE1' ' CE1' ' A' ' 222' ' ' TYR . 0.7 OUTLIER -112.46 110.54 52.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -30.09 7.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.637 ' O ' ' CE2' ' A' ' 226' ' ' PHE . 0.0 OUTLIER -63.69 114.35 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 229' ' ' THR . . . . . 0.517 ' HB ' ' CG ' ' A' ' 381' ' ' ASP . 34.0 p -133.34 -165.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . 0.766 ' HD3' ' CD1' ' A' ' 384' ' ' LEU . 3.4 mtmm -77.43 -24.45 50.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . 0.471 ' CB ' ' OD2' ' A' ' 381' ' ' ASP . . . -78.78 -41.43 30.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 232' ' ' LYS . . . . . 0.409 ' O ' HD12 ' A' ' 236' ' ' ILE . 0.8 OUTLIER -72.05 -42.33 66.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 233' ' ' ALA . . . . . 0.61 ' O ' ' HB2' ' A' ' 237' ' ' LEU . . . -64.69 -47.81 77.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . 0.65 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -73.13 -2.7 22.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . 0.929 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -81.25 -69.66 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.433 HG13 ' HB3' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -59.3 -38.09 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 237' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' A' ' 233' ' ' ALA . 0.1 OUTLIER -57.22 -36.25 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 238' ' ' THR . . . . . 0.85 ' O ' ' N ' ' A' ' 240' ' ' LYS . 1.1 t -152.03 -39.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . 0.929 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -10.58 -48.75 0.0 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 240' ' ' LYS . . . . . 0.85 ' N ' ' O ' ' A' ' 238' ' ' THR . 0.0 OUTLIER 150.24 -87.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 241' ' ' THR . . . . . 0.527 ' CG2' ' O ' ' A' ' 240' ' ' LYS . 10.0 t 48.52 46.23 20.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 242' ' ' THR . 0.4 OUTLIER 62.25 14.5 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 243' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 240' ' ' LYS . 0.3 OUTLIER 59.46 101.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 244' ' ' LYS . . . . . 0.6 ' O ' ' CB ' ' A' ' 245' ' ' SER . 0.0 OUTLIER -161.29 -81.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 245' ' ' SER . . . . . 0.6 ' CB ' ' O ' ' A' ' 244' ' ' LYS . 1.5 m 150.59 154.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . 0.683 ' C ' ' HA2' ' A' ' 346' ' ' GLY . 18.2 Cg_endo -74.99 113.88 3.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 247' ' ' PHE . . . . . 0.742 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -1.06 71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.654 ' CG2' ' CZ ' ' A' ' 347' ' ' PHE . 8.8 p -55.35 144.25 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 249' ' ' ILE . . . . . 0.544 ' CD1' ' CZ ' ' A' ' 247' ' ' PHE . 0.1 OUTLIER -127.98 152.18 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 250' ' ' TYR . . . . . 0.598 ' HA ' ' CD2' ' A' ' 352' ' ' PHE . 0.4 OUTLIER 162.69 -26.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.21 141.32 28.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 252' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' A' ' 256' ' ' MET . 2.2 mmm -41.59 -45.55 3.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -65.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 254' ' ' SER . . . . . . . . . . . . . 77.6 p -52.09 -57.6 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 255' ' ' LEU . . . . . 0.4 HD22 ' O ' ' A' ' 252' ' ' MET . 0.0 OUTLIER -44.33 -58.4 2.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 256' ' ' MET . . . . . 0.602 ' O ' ' CB ' ' A' ' 260' ' ' ASP . 0.0 OUTLIER -51.37 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 257' ' ' MET . . . . . 0.527 ' O ' ' HB2' ' A' ' 261' ' ' LYS . 38.0 mtp -36.7 -27.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 258' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 256' ' ' MET . . . -88.58 -92.48 1.08 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.529 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 1.6 tt0 -44.99 -23.07 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . 0.602 ' CB ' ' O ' ' A' ' 256' ' ' MET . 4.3 t0 -94.58 -63.17 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 261' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 257' ' ' MET . 0.3 OUTLIER -96.25 54.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.472 ' HB ' ' HA2' ' A' ' 258' ' ' GLY . 0.1 OUTLIER -175.52 -34.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 264' ' ' PHE . 0.0 OUTLIER -147.26 24.27 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 264' ' ' PHE . . . . . 0.529 ' CB ' ' O ' ' A' ' 260' ' ' ASP . 0.0 OUTLIER -31.51 130.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.48 ' O ' ' CE1' ' A' ' 264' ' ' PHE . 0.0 OUTLIER -47.48 171.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -121.4 169.16 10.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.624 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 14.1 mt -55.47 116.2 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 268' ' ' THR . . . . . 0.685 HG22 ' N ' ' A' ' 269' ' ' PRO . 0.5 OUTLIER -152.28 174.57 3.53 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . 0.685 ' N ' HG22 ' A' ' 268' ' ' THR . 18.4 Cg_endo -74.93 53.21 3.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.593 ' HG ' ' CG2' ' A' ' 268' ' ' THR . 0.0 OUTLIER -86.27 -176.41 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 271' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 273' ' ' GLN . 3.5 pt20 162.52 167.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 110.264 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 273' ' ' GLN . 3.4 pt-20 -65.67 64.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 273' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 271' ' ' GLN . 0.5 OUTLIER -179.56 38.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.04 81.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.95 44.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 276' ' ' GLU . . . . . 0.599 ' OE1' ' NE ' ' A' ' 357' ' ' ARG . 0.0 OUTLIER -75.17 151.21 38.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 277' ' ' VAL . . . . . 0.559 ' CG1' ' CD2' ' A' ' 356' ' ' LEU . 61.4 t -39.1 -42.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . 0.727 ' O ' ' N ' ' A' ' 280' ' ' ARG . . . -60.69 -81.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 0.59 ' C ' ' O ' ' A' ' 278' ' ' ALA . 0.4 OUTLIER -23.55 -39.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . 0.727 ' N ' ' O ' ' A' ' 278' ' ' ALA . 7.8 mtp180 -77.53 -64.9 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 281' ' ' ILE . . . . . 0.634 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.2 OUTLIER -62.5 -43.31 98.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 282' ' ' PHE . . . . . 0.816 ' CD1' ' CE1' ' A' ' 360' ' ' PHE . 0.1 OUTLIER -49.91 -51.32 41.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 283' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 0.0 OUTLIER -58.03 -34.43 70.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 284' ' ' GLY . . . . . 0.505 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -85.49 -53.99 2.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 285' ' ' CYS . . . . . 0.634 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.7 OUTLIER -47.9 -18.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 286' ' ' GLN . . . . . 0.505 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -110.13 -27.7 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 287' ' ' PHE . . . . . 0.661 ' CE1' ' CG ' ' A' ' 291' ' ' GLU . 11.9 t80 -51.01 -31.36 17.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -22.61 64.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 12.0 t -89.3 -56.14 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 290' ' ' VAL . . . . . 0.476 ' O ' ' CG1' ' A' ' 293' ' ' VAL . 2.8 m -54.05 -20.17 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . 0.661 ' CG ' ' CE1' ' A' ' 287' ' ' PHE . 29.4 mt-10 -83.05 -61.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . 0.678 ' CB ' HG12 ' A' ' 326' ' ' ILE . . . -33.62 -58.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 290' ' ' VAL . 2.5 p -41.93 -45.29 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.598 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.0 mt-30 -71.5 -27.57 63.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 295' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.6 mt-10 -77.7 -56.97 4.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . 0.598 ' O ' ' N ' ' A' ' 300' ' ' ALA . 3.6 mp -41.83 -67.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 297' ' ' THR . . . . . 0.449 ' C ' ' N ' ' A' ' 299' ' ' TYR . 0.9 OUTLIER -40.22 -63.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.39 -25.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 299' ' ' TYR . . . . . 0.87 ' CD2' ' CD1' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -103.41 -55.53 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.955 ' O ' ' N ' ' A' ' 302' ' ' SER . . . -35.01 -49.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' LYS . . . . . 0.495 ' HA ' ' CG2' ' A' ' 307' ' ' VAL . 58.5 mttt -35.41 -8.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 302' ' ' SER . . . . . 0.955 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -68.36 -50.85 50.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 303' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -58.3 127.69 81.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 16.99 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . 0.603 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -132.3 -24.71 0.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.774 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 12.0 t80 -58.42 -60.77 3.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 0.755 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 307' ' ' VAL . . . . . 0.495 ' CG2' ' HA ' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -69.08 -20.37 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -74.03 -13.46 60.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.774 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.6 mt -68.59 -111.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 310' ' ' ASP . . . . . 0.67 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -139.71 151.84 46.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -46.19 70.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . 0.863 ' O ' ' N ' ' A' ' 316' ' ' THR . 3.4 m-80 -82.35 -59.66 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' ASP . . . . . 0.67 ' CB ' ' HB3' ' A' ' 310' ' ' ASP . 44.5 t0 -31.92 -52.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 314' ' ' GLN . . . . . 0.584 ' O ' ' HG ' ' A' ' 317' ' ' LEU . 24.0 mt-30 -59.78 -53.45 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 315' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 312' ' ' ASN . 91.2 t -71.95 -33.59 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.863 ' N ' ' O ' ' A' ' 312' ' ' ASN . 19.2 m -65.03 -54.56 28.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 317' ' ' LEU . . . . . 0.661 ' O ' ' N ' ' A' ' 321' ' ' GLY . 4.2 pp -52.8 -47.74 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 318' ' ' LEU . . . . . 0.531 ' CD2' HG23 ' A' ' 322' ' ' VAL . 0.2 OUTLIER -63.98 -43.07 96.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.426 ' NZ ' ' O ' ' A' ' 474' ' ' LYS . 0.5 OUTLIER -51.36 -28.17 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.346 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 320' ' ' TYR . . . . . 0.416 ' O ' ' OD2' ' A' ' 396' ' ' ASP . 2.1 m-85 -122.08 3.5 9.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 321' ' ' GLY . . . . . 0.661 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -115.17 -48.53 0.52 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 326' ' ' ILE . 4.7 p -35.43 -31.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . 0.687 ' CD2' ' CG2' ' A' ' 446' ' ' VAL . 0.0 OUTLIER -63.13 -57.41 10.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.563 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 324' ' ' GLU . . . . . 0.656 ' N ' ' CD2' ' A' ' 323' ' ' HIS . 80.0 mt-10 -64.16 2.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 325' ' ' ILE . . . . . 0.692 ' O ' HG22 ' A' ' 328' ' ' THR . 2.3 mp -110.51 -47.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' ILE . . . . . 0.678 HG12 ' CB ' ' A' ' 292' ' ' ALA . 4.9 mt -74.67 -40.37 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.611 ' CD2' HG22 ' A' ' 446' ' ' VAL . 9.5 m-85 -76.02 -15.53 60.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' THR . . . . . 0.692 HG22 ' O ' ' A' ' 325' ' ' ILE . 0.7 OUTLIER -72.2 -56.8 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.453 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' MET . . . . . 0.579 ' N ' ' CG2' ' A' ' 328' ' ' THR . 7.8 ptp -89.47 -12.76 39.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.629 ' CB ' ' O ' ' A' ' 326' ' ' ILE . 1.6 mt -49.4 -53.66 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' ALA . . . . . 0.602 ' HA ' ' HB3' ' A' ' 371' ' ' ALA . . . -34.64 -52.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' SER . . . . . 0.65 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 6.0 m -59.75 -45.65 91.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 330' ' ' LEU . 3.7 mm? -58.72 -13.94 7.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' MET . . . . . 0.728 ' CE ' ' HB3' ' A' ' 367' ' ' LYS . 2.0 mmt -76.58 173.0 12.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' ASN . . . . . 0.697 ' O ' ' CG ' ' A' ' 335' ' ' ASN . 0.1 OUTLIER -141.46 9.55 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER 80.41 -41.32 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' ASP . . . . . 0.435 ' C ' ' H ' ' A' ' 350' ' ' ARG . 0.1 OUTLIER -125.24 10.34 8.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . 0.722 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -171.21 173.41 44.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . 0.64 ' O ' ' HB2' ' A' ' 347' ' ' PHE . 3.8 p -136.44 151.54 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.602 ' CD2' ' CB ' ' A' ' 233' ' ' ALA . 0.4 OUTLIER -69.43 124.33 23.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' ILE . . . . . 0.603 ' O ' ' CB ' ' A' ' 342' ' ' SER . 1.3 pt -128.15 108.97 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' SER . . . . . 0.603 ' CB ' ' O ' ' A' ' 341' ' ' ILE . 5.6 m 93.59 132.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.057 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 345' ' ' GLN . 12.0 mp0 -27.02 93.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 342' ' ' SER . . . 34.22 30.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 343' ' ' GLU . 0.0 OUTLIER -82.64 -70.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 110.316 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . 0.742 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . -130.01 -150.2 6.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.654 ' CZ ' ' CG2' ' A' ' 248' ' ' VAL . 0.1 OUTLIER -177.68 138.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.498 ' H ' ' CG2' ' A' ' 341' ' ' ILE . 11.4 ttm -93.42 121.88 35.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' THR . . . . . 0.722 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 1.6 p -71.32 153.65 42.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.407 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . 0.88 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 7.8 ttm180 -63.83 -55.84 19.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' GLU . . . . . 0.535 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 0.0 OUTLIER -35.84 -25.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' PHE . . . . . 0.617 ' N ' ' O ' ' A' ' 350' ' ' ARG . 1.8 t80 -89.63 -51.47 5.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' LEU . . . . . 0.889 ' O ' ' O ' ' A' ' 361' ' ' GLY . 0.2 OUTLIER -67.19 -21.87 65.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' LYS . . . . . 0.881 ' HA ' ' O ' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -91.84 -33.62 14.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' SER . . . . . 0.58 ' O ' ' CD2' ' A' ' 356' ' ' LEU . 9.2 t -70.42 73.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' LEU . . . . . 1.002 ' HB2' ' HA2' ' A' ' 361' ' ' GLY . 0.2 OUTLIER -152.3 -152.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 357' ' ' ARG . . . . . 0.657 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -69.32 153.52 43.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' LYS . . . . . 0.808 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.81 -55.45 1.23 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.808 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.4 Cg_endo -74.97 -84.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' PHE . . . . . 0.816 ' CE1' ' CD1' ' A' ' 282' ' ' PHE . 0.5 OUTLIER -63.55 32.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . 1.002 ' HA2' ' HB2' ' A' ' 356' ' ' LEU . . . -87.39 -43.34 5.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 362' ' ' ASP . . . . . 0.624 ' CA ' ' HA ' ' A' ' 354' ' ' LYS . 7.1 p-10 -148.96 96.88 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 363' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -103.25 0.06 31.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 110.983 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 364' ' ' MET . . . . . 0.537 ' HG2' ' CE1' ' A' ' 363' ' ' PHE . 0.2 OUTLIER -121.24 -5.8 9.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . 0.88 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 2.4 tp10 -65.12 -41.23 51.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -75.02 -24.96 12.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 367' ' ' LYS . . . . . 0.728 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 0.0 OUTLIER -76.5 -33.91 58.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 368' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 339' ' ' VAL . 6.7 m-30 -68.71 -53.94 19.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.23 -46.99 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 370' ' ' PHE . . . . . 0.685 ' CG ' ' CD1' ' A' ' 445' ' ' ILE . 2.1 m-85 -61.02 -38.23 85.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . 0.602 ' HB3' ' HA ' ' A' ' 331' ' ' ALA . . . -59.6 -46.19 89.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 30.7 t -67.39 -9.07 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -104.14 -27.8 11.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 374' ' ' PHE . . . . . 0.635 ' CZ ' ' CG ' ' A' ' 441' ' ' ASP . 0.1 OUTLIER -92.17 -35.6 13.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.7 -15.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . 0.487 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -84.98 31.19 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 0.8 OUTLIER -174.69 4.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . 0.502 ' HB3' ' HE3' ' A' ' 230' ' ' LYS . 1.8 mt-10 -78.37 134.49 37.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . 0.632 ' CD1' ' CD1' ' A' ' 435' ' ' LEU . 0.3 OUTLIER -84.69 -148.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . 0.471 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 54.3 p30 -110.14 148.07 32.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . 0.517 ' CG ' ' HB ' ' A' ' 229' ' ' THR . 0.5 OUTLIER -41.91 -26.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 382' ' ' SER . . . . . 0.482 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 0.1 OUTLIER -60.39 -55.87 28.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . 0.497 ' OD1' ' ND2' ' A' ' 424' ' ' ASN . 3.1 m-20 -71.91 -17.64 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . 0.766 ' CD1' ' HD3' ' A' ' 230' ' ' LYS . 6.5 mt -84.88 -49.72 8.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . 0.631 ' CB ' ' CD2' ' A' ' 219' ' ' TYR . . . -36.97 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 384' ' ' LEU . 1.8 mt -92.88 -39.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . 0.573 ' CE1' HG21 ' A' ' 328' ' ' THR . 26.4 t80 -41.55 -42.33 2.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 388' ' ' ILE . . . . . 0.723 HG23 ' CE2' ' A' ' 222' ' ' TYR . 12.7 tt -44.11 -61.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 410' ' ' GLN . . . -60.47 -28.23 68.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . 0.578 ' HA ' ' CD ' ' A' ' 410' ' ' GLN . 76.4 t -69.7 -14.94 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.598 HG22 ' CD1' ' A' ' 325' ' ' ILE . 2.0 mm -119.87 5.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' ILE . . . . . 0.721 ' C ' ' H ' ' A' ' 394' ' ' SER . 0.0 OUTLIER -116.43 -62.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . 0.875 ' CB ' ' HG3' ' A' ' 410' ' ' GLN . 0.7 OUTLIER -65.24 24.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' SER . . . . . 0.721 ' H ' ' C ' ' A' ' 392' ' ' ILE . 1.3 m -121.91 144.92 48.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 396' ' ' ASP . . . -64.63 63.47 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' ASP . . . . . 0.618 ' C ' ' HE ' ' A' ' 397' ' ' ARG . 1.0 OUTLIER -36.0 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' ARG . . . . . 0.806 ' CB ' ' CD ' ' A' ' 398' ' ' PRO . 0.0 OUTLIER -149.36 -165.16 0.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . 0.806 ' CD ' ' CB ' ' A' ' 397' ' ' ARG . 18.2 Cg_endo -75.01 40.29 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . 0.651 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . -127.18 55.02 0.76 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.592 ' HB3' ' OD1' ' A' ' 313' ' ' ASP . 0.2 OUTLIER -148.74 -177.4 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.601 ' CD1' ' HB2' ' A' ' 312' ' ' ASN . 14.6 mt -125.01 -58.14 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . 0.744 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 1.8 m120 -106.66 84.39 2.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' VAL . . . . . 0.567 ' HA ' HD11 ' A' ' 406' ' ' ILE . 1.2 t -76.13 -16.75 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.708 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.5 OUTLIER -67.78 -52.75 24.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . 0.744 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -74.99 -17.83 19.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . 0.736 HG13 ' O ' ' A' ' 402' ' ' ASN . 68.6 mt -69.04 -85.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' GLU . . . . . 0.514 ' N ' HG21 ' A' ' 406' ' ' ILE . 3.6 tt0 -49.08 -18.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . 0.708 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 16.3 m-20 -76.28 -62.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' ILE . . . . . 0.719 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 20.1 mm -52.6 -27.95 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . 0.875 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -71.17 -42.12 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 410' ' ' GLN . 7.4 t70 -35.34 -33.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 410' ' ' GLN . 1.6 t30 -87.29 -50.17 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 409' ' ' ILE . 1.2 mt -55.92 -40.11 72.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.604 HD22 ' CD2' ' A' ' 432' ' ' PHE . 0.7 OUTLIER -60.66 -47.27 86.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.513 ' O ' ' HB2' ' A' ' 419' ' ' LEU . 41.1 mt-30 -52.36 -66.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.589 ' HA ' ' CD1' ' A' ' 211' ' ' LEU . . . -44.85 -45.43 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . 0.69 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -49.0 -80.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' GLU . . . . . 0.566 ' HB3' ' CG ' ' A' ' 432' ' ' PHE . 0.2 OUTLIER -54.75 -25.33 27.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.553 ' HG ' ' CD1' ' A' ' 423' ' ' LEU . 0.6 OUTLIER -67.93 -77.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' GLN . . . . . 0.588 HE21 ' ND2' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -43.85 -28.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 425' ' ' HIS . 0.0 OUTLIER -83.02 -41.37 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . 0.66 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 6.1 ttmt -78.58 8.38 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.553 ' CD1' ' HG ' ' A' ' 419' ' ' LEU . 17.5 mt -120.04 -43.96 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.662 ' OD1' ' CD2' ' A' ' 425' ' ' HIS . 49.4 p-10 -78.64 -12.82 60.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.662 ' CD2' ' OD1' ' A' ' 424' ' ' ASN . 28.3 p80 174.93 74.63 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.605 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.66 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.99 162.82 36.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -141.15 -85.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' SER . . . . . 0.472 ' O ' ' CE ' ' A' ' 422' ' ' LYS . 0.1 OUTLIER -120.67 -157.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' SER . . . . . 0.46 ' C ' ' N ' ' A' ' 431' ' ' LEU . 0.6 OUTLIER -92.58 155.54 17.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 110.011 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 433' ' ' ALA . 0.0 OUTLIER 42.55 23.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.255 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . 0.46 ' N ' ' C ' ' A' ' 429' ' ' SER . 0.0 OUTLIER -42.93 -27.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' PHE . . . . . 0.604 ' CD2' HD22 ' A' ' 414' ' ' LEU . 34.0 p90 -86.92 -38.95 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -45.84 -27.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.531 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.0 OUTLIER -99.45 -47.26 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' LEU . . . . . 0.632 ' CD1' ' CD1' ' A' ' 379' ' ' LEU . 0.3 OUTLIER -47.14 -33.95 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.531 ' C ' ' H ' ' A' ' 438' ' ' LYS . 4.2 pp -75.49 -45.76 36.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 2.4 mt-30 -48.61 -11.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.569 ' O ' ' N ' ' A' ' 440' ' ' THR . 0.0 OUTLIER -49.39 -25.73 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' MET . . . . . 0.619 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -24.18 -44.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 438' ' ' LYS . 64.1 p -33.85 -78.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.382 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.757 ' O ' HG13 ' A' ' 445' ' ' ILE . 0.0 OUTLIER -57.75 -21.66 42.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.58 ' CD1' ' HB2' ' A' ' 327' ' ' TYR . 0.2 OUTLIER -72.85 -73.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 439' ' ' MET . 0.1 OUTLIER -57.24 -10.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 440' ' ' THR . 2.3 mm100 -74.75 -71.04 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.757 HG13 ' O ' ' A' ' 441' ' ' ASP . 0.1 OUTLIER -50.01 -29.88 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.687 ' CG2' ' CD2' ' A' ' 323' ' ' HIS . 26.3 t -67.86 -65.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' THR . . . . . 0.439 HG23 ' HA ' ' A' ' 444' ' ' GLN . 9.0 t -47.74 -23.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -53.18 6.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' HIS . . . . . 0.586 ' HB2' ' CD2' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -48.63 -28.14 3.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' VAL . . . . . 0.691 ' O ' ' N ' ' A' ' 454' ' ' GLN . 34.1 t -86.53 -50.64 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' GLN . . . . . 0.405 ' O ' ' CG2' ' A' ' 455' ' ' VAL . 0.3 OUTLIER -42.99 -26.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 450' ' ' VAL . 8.3 mt -87.69 -68.09 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.598 ' HB2' ' CZ ' ' A' ' 360' ' ' PHE . 1.3 pp -59.9 -14.44 15.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . 0.691 ' N ' ' O ' ' A' ' 450' ' ' VAL . 2.0 tt0 -85.03 -48.87 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 451' ' ' GLN . 75.6 t -73.02 -6.0 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 1.015 ' O ' ' N ' ' A' ' 460' ' ' GLU . 1.4 tp -102.84 -61.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . 0.646 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 0.1 OUTLIER -41.37 -37.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 8.8 mmmt -83.82 -41.52 17.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' THR . . . . . 0.52 ' O ' ' CG2' ' A' ' 459' ' ' THR . 2.2 m -124.18 43.36 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.38 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 1.015 ' N ' ' O ' ' A' ' 456' ' ' ILE . 8.6 mm-40 -41.78 131.29 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -39.96 -28.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 460' ' ' GLU . 2.0 t70 173.25 68.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 56.2 tpp 62.15 145.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 460' ' ' GLU . 46.3 t -158.5 151.7 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.624 HD12 ' CD2' ' A' ' 466' ' ' HIS . 0.2 OUTLIER 38.28 -117.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . 0.907 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 10.2 p80 -162.51 -175.58 0.5 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . 0.907 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.2 Cg_endo -75.01 -47.91 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.636 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 0.7 OUTLIER -44.07 -19.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . 0.515 ' N ' ' C ' ' A' ' 467' ' ' PRO . 0.1 OUTLIER -87.59 -57.2 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -48.32 -27.79 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -75.36 -50.89 14.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 0.9 OUTLIER -48.18 -59.41 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' TYR . . . . . 0.534 ' CE2' ' HE3' ' A' ' 457' ' ' LYS . 1.9 t80 -55.14 -47.12 75.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . 0.426 ' O ' ' NZ ' ' A' ' 319' ' ' LYS . 1.8 mmtp -51.94 179.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -130.01 162.97 27.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 210' ' ' ASP . 6.5 tp10 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' SER . . . . . 0.587 ' O ' ' HB3' ' A' ' 211' ' ' LEU . 5.6 m -34.08 -52.99 0.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.713 ' O ' ' CB ' ' A' ' 213' ' ' ALA . . . -48.24 -44.83 33.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' ASP . . . . . 0.641 ' HA ' ' HB2' ' A' ' 213' ' ' ALA . 7.6 p30 -86.45 -19.74 29.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.703 ' CD1' ' C ' ' A' ' 211' ' ' LEU . 0.1 OUTLIER -46.92 -77.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . 0.498 ' NH1' HD12 ' A' ' 211' ' ' LEU . 0.0 OUTLIER -75.03 -23.23 58.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . 0.713 ' CB ' ' O ' ' A' ' 209' ' ' ALA . . . -74.07 -78.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 218' ' ' LEU . 15.9 tp -44.22 -47.48 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 211' ' ' LEU . . . -43.85 -71.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . 0.522 ' HE2' ' CA ' ' A' ' 216' ' ' LYS . 0.0 OUTLIER -37.51 -33.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 215' ' ' ALA . 28.9 t60 -85.05 -69.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.703 ' O ' ' HB2' ' A' ' 222' ' ' TYR . 0.3 OUTLIER -38.71 -50.65 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' TYR . . . . . 0.998 ' CE2' ' HA ' ' A' ' 382' ' ' SER . 10.9 m-85 -68.3 -40.04 81.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . 0.515 ' O ' ' CD ' ' A' ' 224' ' ' LYS . 3.6 m-20 -56.66 -72.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' SER . . . . . 0.71 ' OG ' ' CD1' ' A' ' 299' ' ' TYR . 78.4 p -53.67 -24.53 14.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.093 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 222' ' ' TYR . . . . . 0.859 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 29.2 t80 -77.49 -52.06 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 223' ' ' ILE . 1.3 mp -48.66 -13.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . 0.522 ' N ' ' C ' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -97.24 -47.27 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 225' ' ' SER . . . . . 0.99 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 9.5 t -43.57 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 226' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.2 120.03 25.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 227' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.1 Cg_endo -75.02 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.72 73.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 229' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 227' ' ' PRO . 7.1 p -83.08 -164.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -72.12 -28.19 63.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -77.29 -41.57 40.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 232' ' ' LYS . . . . . 0.501 ' O ' ' CD1' ' A' ' 236' ' ' ILE . 2.1 mttm -72.99 -39.59 65.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 233' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 237' ' ' LEU . . . -67.68 -46.89 71.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . 0.697 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -75.21 -1.58 23.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . 0.938 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -82.11 -65.22 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.621 ' HB ' ' HB3' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -63.41 -42.99 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 237' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 233' ' ' ALA . 0.1 OUTLIER -47.89 -26.61 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 238' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.32 -28.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.425 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . 0.938 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -86.08 60.27 4.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 240' ' ' LYS . . . . . 0.699 ' CB ' ' O ' ' A' ' 239' ' ' GLY . 0.0 OUTLIER 143.33 -156.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 241' ' ' THR . . . . . 0.62 ' CG2' ' O ' ' A' ' 240' ' ' LYS . 1.7 t 49.64 31.09 3.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 242' ' ' THR . 0.4 OUTLIER 64.71 11.5 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 243' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 73.31 76.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 244' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 245' ' ' SER . 0.0 OUTLIER -154.28 -64.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 245' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 244' ' ' LYS . 0.9 OUTLIER 158.77 154.22 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . 0.704 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.4 Cg_endo -74.98 127.89 11.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 247' ' ' PHE . . . . . 0.727 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -7.6 73.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.704 ' N ' ' O ' ' A' ' 246' ' ' PRO . 7.3 p -57.23 106.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 249' ' ' ILE . . . . . 0.578 ' O ' ' CB ' ' A' ' 250' ' ' TYR . 0.7 OUTLIER -96.5 145.75 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 250' ' ' TYR . . . . . 0.588 ' HA ' ' CE2' ' A' ' 352' ' ' PHE . 0.1 OUTLIER 157.6 -20.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . 0.459 ' N ' ' OG ' ' A' ' 254' ' ' SER . 5.3 t70 -60.94 166.57 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 252' ' ' MET . . . . . 0.437 ' N ' ' CG ' ' A' ' 251' ' ' ASP . 16.7 ptt? -64.12 -47.16 81.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.436 ' N ' ' HG3' ' A' ' 252' ' ' MET . 0.2 OUTLIER -69.24 -43.6 73.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 254' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 251' ' ' ASP . 93.4 p -49.96 -68.76 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.938 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 255' ' ' LEU . . . . . . . . . . . . . 13.7 tp -48.31 -51.67 24.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 256' ' ' MET . . . . . 0.439 ' O ' ' HB2' ' A' ' 260' ' ' ASP . 13.8 mtp -44.3 -86.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 257' ' ' MET . . . . . 0.737 ' O ' ' N ' ' A' ' 262' ' ' ILE . 23.3 mtt -47.13 -20.15 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 258' ' ' GLY . . . . . 0.967 ' O ' ' N ' ' A' ' 261' ' ' LYS . . . -81.14 -100.23 0.36 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.569 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 58.1 tt0 -28.59 -42.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 258' ' ' GLY . 4.4 m-20 -70.48 -28.81 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 261' ' ' LYS . . . . . 0.967 ' N ' ' O ' ' A' ' 258' ' ' GLY . 21.4 mmmt 83.13 33.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.737 ' N ' ' O ' ' A' ' 257' ' ' MET . 1.5 mt 79.13 51.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 58.78 53.53 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 264' ' ' PHE . . . . . 0.451 ' HB3' ' HB2' ' A' ' 261' ' ' LYS . 16.9 t80 -109.04 -42.98 4.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.7 137.48 45.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.36 -172.16 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 268' ' ' THR . 48.6 mm 67.67 166.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 268' ' ' THR . . . . . 0.611 ' CG2' ' HG ' ' A' ' 270' ' ' LEU . 0.9 OUTLIER -137.65 154.71 75.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . 0.586 ' N ' HG22 ' A' ' 268' ' ' THR . 18.4 Cg_endo -75.0 46.42 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.611 ' HG ' ' CG2' ' A' ' 268' ' ' THR . 0.1 OUTLIER -83.14 -94.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 271' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 270' ' ' LEU . 7.6 pt20 -37.58 132.44 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -93.94 54.8 2.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 273' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -142.43 -50.55 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 274' ' ' SER . . . . . 0.479 ' C ' ' HG3' ' A' ' 275' ' ' LYS . 0.7 OUTLIER -77.99 169.34 18.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.005 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . 0.514 ' CD ' ' N ' ' A' ' 276' ' ' GLU . 0.1 OUTLIER 39.32 -161.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.37 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 276' ' ' GLU . . . . . 0.639 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 1.0 OUTLIER 168.11 146.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 277' ' ' VAL . . . . . 0.497 ' N ' ' HG3' ' A' ' 276' ' ' GLU . 4.1 t -42.08 -43.96 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . 0.671 ' O ' ' C ' ' A' ' 279' ' ' ILE . . . -70.06 -78.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 0.671 ' C ' ' O ' ' A' ' 278' ' ' ALA . 2.7 mm -13.19 -60.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -62.51 -65.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 281' ' ' ILE . . . . . 0.568 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.2 OUTLIER -59.23 -56.54 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 282' ' ' PHE . . . . . 0.822 ' CD1' ' CD2' ' A' ' 360' ' ' PHE . 79.1 t80 -42.1 -46.05 4.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 283' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 0.7 OUTLIER -60.13 -37.64 80.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.259 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 284' ' ' GLY . . . . . 0.454 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -83.13 -55.34 2.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 285' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.5 OUTLIER -53.56 -15.84 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 286' ' ' GLN . . . . . 0.454 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.2 OUTLIER -108.93 -26.09 10.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 287' ' ' PHE . . . . . 0.54 ' CE2' ' CD ' ' A' ' 291' ' ' GLU . 54.5 t80 -47.56 -48.01 28.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -22.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 289' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 287' ' ' PHE . 2.8 t -84.06 -55.31 4.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 290' ' ' VAL . . . . . 0.425 HG22 ' N ' ' A' ' 291' ' ' GLU . 2.7 m -49.76 -25.86 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' A' ' 294' ' ' GLN . 51.6 mt-10 -76.91 -60.41 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . 0.635 ' O ' ' N ' ' A' ' 295' ' ' GLU . . . -34.59 -56.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 79.8 t -39.81 -44.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.6 -26.86 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.257 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 295' ' ' GLU . . . . . 0.635 ' N ' ' O ' ' A' ' 292' ' ' ALA . 7.5 mt-10 -76.56 -49.4 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . 0.778 ' O ' ' N ' ' A' ' 300' ' ' ALA . 3.9 mp -50.04 -68.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.362 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 297' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 296' ' ' ILE . 0.9 OUTLIER -36.49 -63.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.01 -26.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 299' ' ' TYR . . . . . 0.99 ' HB2' ' HB2' ' A' ' 225' ' ' SER . 1.0 OUTLIER -106.34 -32.91 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 110.966 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.778 ' N ' ' O ' ' A' ' 296' ' ' ILE . . . -59.82 -58.92 6.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' LYS . . . . . 0.44 ' HA ' HG22 ' A' ' 307' ' ' VAL . 82.6 mttt -49.81 -5.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 302' ' ' SER . . . . . 0.675 ' HB3' ' O ' ' A' ' 299' ' ' TYR . 6.6 p -68.69 -52.47 30.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 303' ' ' ILE . . . . . 0.776 HG13 ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -51.44 129.77 33.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 304' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.3 Cg_endo -74.99 15.76 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . 0.518 ' HA3' ' CD1' ' A' ' 409' ' ' ILE . . . -131.16 -23.1 0.95 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.736 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 79.1 t80 -64.63 -53.86 40.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 307' ' ' VAL . . . . . 0.44 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -70.24 -18.79 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -77.67 -12.73 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.745 ' HB2' ' HG3' ' A' ' 314' ' ' GLN . 5.4 mt -69.7 -110.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 310' ' ' ASP . . . . . 0.669 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.5 t70 -150.71 155.58 39.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . 0.403 ' HG ' ' OD1' ' A' ' 310' ' ' ASP . 0.2 OUTLIER -53.92 -48.98 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . 0.547 ' HB2' ' CD1' ' A' ' 401' ' ' LEU . 64.5 m-80 -80.84 -54.72 5.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' ASP . . . . . 0.669 ' CB ' ' HB3' ' A' ' 310' ' ' ASP . 34.3 t0 -40.2 -47.49 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 314' ' ' GLN . . . . . 0.745 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 19.4 mt-30 -61.88 -51.34 68.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.35 -47.6 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 399' ' ' GLY . 24.9 m -43.75 -65.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 317' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -46.22 -51.75 13.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 318' ' ' LEU . . . . . 0.558 ' CD2' HG23 ' A' ' 322' ' ' VAL . 0.3 OUTLIER -56.8 -53.13 61.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.47 ' NZ ' ' O ' ' A' ' 474' ' ' LYS . 0.7 OUTLIER -35.24 -41.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 320' ' ' TYR . . . . . 0.502 ' CB ' ' HG3' ' A' ' 397' ' ' ARG . 0.1 OUTLIER -118.95 6.51 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 321' ' ' GLY . . . . . 0.732 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -103.73 -50.71 1.01 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 326' ' ' ILE . 4.0 t -44.84 -25.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . 0.543 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 23.8 m170 -70.82 -49.4 46.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 324' ' ' GLU . . . . . 0.832 ' O ' ' HB ' ' A' ' 328' ' ' THR . 7.6 mt-10 -72.03 2.81 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 325' ' ' ILE . . . . . 0.706 ' O ' HG21 ' A' ' 328' ' ' THR . 0.7 OUTLIER -106.56 -46.79 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' ILE . . . . . 0.665 ' O ' ' HB2' ' A' ' 330' ' ' LEU . 15.1 mt -77.03 -38.27 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 323' ' ' HIS . 5.7 m-30 -76.94 -26.09 53.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' THR . . . . . 0.832 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 3.9 t -71.38 -57.78 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' MET . . . . . 0.685 ' N ' HG22 ' A' ' 328' ' ' THR . 17.2 ptt? -74.81 -25.08 58.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.688 ' O ' ' HG2' ' A' ' 334' ' ' MET . 1.3 mt -47.51 -56.72 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' ALA . . . . . 0.633 ' HB1' ' CE2' ' A' ' 370' ' ' PHE . . . -31.58 -57.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' SER . . . . . 0.697 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 64.1 m -56.58 -46.59 80.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . 0.598 ' N ' ' O ' ' A' ' 330' ' ' LEU . 0.6 OUTLIER -64.8 -13.52 55.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' MET . . . . . 0.688 ' HG2' ' O ' ' A' ' 330' ' ' LEU . 2.5 mmt -76.23 173.23 11.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' ASN . . . . . 0.674 ' O ' ' CG ' ' A' ' 335' ' ' ASN . 0.1 OUTLIER -140.96 8.81 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER 81.65 -41.37 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' A' ' 349' ' ' THR . 0.3 OUTLIER -126.63 10.53 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . 0.697 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -171.3 174.04 44.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . 0.735 ' O ' HG22 ' A' ' 341' ' ' ILE . 2.7 p -143.37 154.56 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 333' ' ' LEU . 1.2 mm? -65.68 121.96 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' ILE . . . . . 0.735 HG22 ' O ' ' A' ' 339' ' ' VAL . 0.0 OUTLIER -154.69 177.88 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' SER . . . . . 0.436 ' N ' HG12 ' A' ' 341' ' ' ILE . 69.0 m 65.69 120.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.25 -18.71 39.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 345' ' ' GLN . . . -67.93 -7.81 50.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 344' ' ' GLY . 1.1 tt0 84.15 63.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . 0.727 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . -132.27 -150.86 6.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.437 1.086 . . . . 0.0 110.962 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.712 ' O ' ' CD1' ' A' ' 347' ' ' PHE . 0.2 OUTLIER -170.29 123.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 110.973 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.511 ' CG ' HG22 ' A' ' 249' ' ' ILE . 2.2 mtp -81.4 115.4 20.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' THR . . . . . 0.697 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 2.2 p -61.1 150.25 34.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.391 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . 0.864 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 8.9 ttm180 -65.31 -53.16 47.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 355' ' ' SER . 11.3 pt-20 -41.88 -22.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 250' ' ' TYR . 1.0 OUTLIER -88.77 -67.2 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' LEU . . . . . 0.597 ' O ' ' CD2' ' A' ' 356' ' ' LEU . 0.4 OUTLIER -50.13 -51.94 39.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' LYS . . . . . 0.596 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.0 OUTLIER -61.84 -37.85 86.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' SER . . . . . 0.558 ' O ' ' CD2' ' A' ' 356' ' ' LEU . 0.6 OUTLIER -53.61 80.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' LEU . . . . . 0.627 ' CD1' ' HA2' ' A' ' 361' ' ' GLY . 0.0 OUTLIER 177.38 -161.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 357' ' ' ARG . . . . . 0.639 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.0 OUTLIER -30.68 145.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' LYS . . . . . 0.85 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -44.48 -57.97 5.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.85 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.06 -75.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' PHE . . . . . 0.822 ' CD2' ' CD1' ' A' ' 282' ' ' PHE . 13.6 m-85 -46.78 -16.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . 0.627 ' HA2' ' CD1' ' A' ' 356' ' ' LEU . . . -101.07 38.57 3.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.43 1.082 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 362' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 362' ' ' ASP . 0.5 OUTLIER 178.52 55.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 0.772 . . . . 0.0 109.356 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 363' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 360' ' ' PHE . 3.9 m-85 -104.34 -11.41 17.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 364' ' ' MET . . . . . 0.455 ' HB2' ' CD1' ' A' ' 353' ' ' LEU . 0.0 OUTLIER -120.34 -5.82 9.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . 0.864 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 4.3 tp10 -67.44 -38.74 16.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.2 Cg_endo -75.0 -26.4 10.95 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 367' ' ' LYS . . . . . 0.649 ' HB2' ' CE ' ' A' ' 334' ' ' MET . 15.2 mttp -75.48 -49.29 19.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 368' ' ' PHE . . . . . 0.755 ' CE2' ' HB2' ' A' ' 350' ' ' ARG . 5.0 m-30 -56.08 -47.77 77.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . 0.468 ' O ' ' CG1' ' A' ' 372' ' ' VAL . 0.8 OUTLIER -59.58 -46.56 88.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 370' ' ' PHE . . . . . 0.633 ' CE2' ' HB1' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -61.53 -31.71 71.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . 0.589 ' HB3' ' CA ' ' A' ' 331' ' ' ALA . . . -66.4 -51.8 53.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 372' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 369' ' ' GLU . 3.5 p -50.99 -20.18 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -99.99 -25.03 14.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 374' ' ' PHE . . . . . 0.559 ' CG ' ' CE1' ' A' ' 370' ' ' PHE . 0.1 OUTLIER -84.81 -40.45 17.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 371' ' ' ALA . 4.8 m120 -57.02 -14.09 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -89.02 32.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 1.2 pp -169.56 5.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . 0.413 ' CD ' ' OG ' ' A' ' 332' ' ' SER . 3.1 mm-40 -69.07 162.34 27.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 377' ' ' LEU . 3.6 mm? -134.35 -101.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . 0.91 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 3.2 p30 -139.52 153.3 47.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . 0.483 ' CG ' ' HB ' ' A' ' 229' ' ' THR . 62.3 m-20 -53.43 -11.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 382' ' ' SER . . . . . 0.998 ' HA ' ' CE2' ' A' ' 219' ' ' TYR . 0.3 OUTLIER -72.67 -68.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.04 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . 0.476 ' OD1' ' ND2' ' A' ' 424' ' ' ASN . 0.7 OUTLIER -57.63 -24.04 54.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . 0.925 ' O ' ' HD1' ' A' ' 387' ' ' PHE . 10.2 mt -80.18 -67.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . 0.605 ' C ' ' O ' ' A' ' 384' ' ' LEU . . . -23.01 -38.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.776 ' N ' ' O ' ' A' ' 384' ' ' LEU . 5.7 mt -81.69 -54.93 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . 0.925 ' HD1' ' O ' ' A' ' 384' ' ' LEU . 0.1 OUTLIER -37.8 -26.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 388' ' ' ILE . . . . . 0.805 ' N ' ' CD1' ' A' ' 387' ' ' PHE . 0.0 OUTLIER -59.57 -55.01 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . 0.554 ' N ' ' CG2' ' A' ' 388' ' ' ILE . . . -60.43 -37.7 81.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . 0.714 ' O ' ' NE2' ' A' ' 410' ' ' GLN . 7.0 t -61.24 -13.84 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.594 ' CG2' ' CD1' ' A' ' 325' ' ' ILE . 19.8 mm -107.44 -18.94 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' ILE . . . . . 0.48 ' CG2' HD23 ' A' ' 393' ' ' LEU . 91.4 mt -69.79 -76.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . 0.799 ' HB2' ' HG3' ' A' ' 410' ' ' GLN . 0.0 OUTLIER -64.29 91.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 396' ' ' ASP . 51.9 m -110.48 81.21 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 406' ' ' ILE . . . -59.33 72.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 394' ' ' SER . 5.6 p-10 -177.77 -22.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' ARG . . . . . 0.51 ' NH2' ' OG ' ' A' ' 394' ' ' SER . 0.0 OUTLIER -49.6 147.59 5.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.29 8.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . 0.522 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . 93.02 36.28 6.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.518 HD12 ' CG2' ' A' ' 403' ' ' VAL . 15.7 mt -92.45 150.98 20.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.547 ' CD1' ' HB2' ' A' ' 312' ' ' ASN . 15.5 mt -100.78 -73.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . 1.279 ' O ' ' CD1' ' A' ' 406' ' ' ILE . 4.3 m120 -105.71 79.54 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' VAL . . . . . 0.534 ' HA ' HD11 ' A' ' 406' ' ' ILE . 0.9 OUTLIER -67.72 -3.95 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.664 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 6.2 mtmt -77.53 -45.01 2.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . 1.266 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -20.18 17.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . 1.279 ' CD1' ' O ' ' A' ' 402' ' ' ASN . 4.0 mp -72.2 -56.82 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.74 -10.33 59.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . 0.664 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 59.7 m-20 -87.64 -45.88 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' ILE . . . . . 0.713 ' CG2' ' CD1' ' A' ' 393' ' ' LEU . 33.6 mm -72.67 -27.7 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . 0.799 ' HG3' ' HB2' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -77.56 -38.34 48.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.37 -25.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.83 -50.35 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 409' ' ' ILE . 2.3 mt -52.91 -41.67 64.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.491 ' HA ' ' CG2' ' A' ' 390' ' ' VAL . 0.1 OUTLIER -62.02 -49.54 75.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.525 ' O ' ' HB3' ' A' ' 419' ' ' LEU . 45.3 mt-30 -48.72 -51.87 26.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.561 ' HA ' ' HB3' ' A' ' 419' ' ' LEU . . . -55.1 -50.22 69.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . 0.676 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -43.56 -78.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' GLU . . . . . 0.664 ' HB3' ' CG ' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -53.68 -24.33 14.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.624 HD21 ' CD2' ' A' ' 211' ' ' LEU . 0.0 OUTLIER -67.49 -81.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' GLN . . . . . 0.659 ' O ' ' CG ' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -56.46 -11.95 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.517 ' CB ' ' O ' ' A' ' 417' ' ' LEU . 0.5 OUTLIER -88.52 -57.26 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 0.0 OUTLIER -80.83 15.33 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.517 HD11 ' CD2' ' A' ' 211' ' ' LEU . 28.4 mt -125.89 -32.94 2.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.659 ' CG ' ' O ' ' A' ' 420' ' ' GLN . 31.6 p-10 -92.85 -11.78 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.505 ' CG ' ' OD1' ' A' ' 424' ' ' ASN . 3.5 p80 177.34 67.4 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.639 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.557 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.1 Cg_endo -75.05 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 0.0 110.979 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.01 -76.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -170.65 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' SER . . . . . 0.406 ' HB2' ' NE2' ' A' ' 430' ' ' GLN . 37.5 m -92.62 -36.11 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -126.91 24.37 6.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 430' ' ' GLN . 1.7 tm? -38.53 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' PHE . . . . . 0.664 ' CG ' ' HB3' ' A' ' 418' ' ' GLU . 0.1 OUTLIER -85.29 -47.85 9.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' ALA . . . . . 0.624 ' N ' ' CG ' ' A' ' 432' ' ' PHE . . . -41.57 -27.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.573 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.0 OUTLIER -97.25 -49.18 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' LEU . . . . . 0.49 ' O ' ' HB2' ' A' ' 438' ' ' LYS . 0.5 OUTLIER -39.02 -39.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.645 HD21 ' CD1' ' A' ' 432' ' ' PHE . 1.9 pp -75.18 -47.34 28.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 1.3 mm100 -46.14 -14.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.525 ' N ' ' C ' ' A' ' 436' ' ' LEU . 0.0 OUTLIER -47.1 -29.78 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' MET . . . . . 0.66 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.36 -43.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.2 OUTLIER -34.3 -76.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.589 ' O ' HG13 ' A' ' 445' ' ' ILE . 28.6 m-20 -52.08 -25.91 9.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 439' ' ' MET . 0.5 OUTLIER -76.42 -75.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . 0.66 ' N ' ' O ' ' A' ' 439' ' ' MET . 18.3 ttt180 -52.63 -19.67 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 440' ' ' THR . 31.6 mm-40 -72.16 -68.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 441' ' ' ASP . 0.9 OUTLIER -45.63 -28.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.44 ' C ' ' N ' ' A' ' 448' ' ' GLU . 41.3 t -65.72 -73.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 5.0 t -42.14 -26.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 446' ' ' VAL . 10.1 mm-40 -86.85 -55.55 3.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' HIS . . . . . 0.47 ' CD2' ' HE3' ' A' ' 367' ' ' LYS . 60.1 t-80 -51.37 -19.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.528 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' VAL . . . . . 0.669 ' O ' ' N ' ' A' ' 454' ' ' GLN . 4.0 t -92.79 -48.07 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' GLN . . . . . 0.417 ' O ' ' CG2' ' A' ' 455' ' ' VAL . 15.7 mt-30 -52.24 -19.99 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -94.39 -56.79 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.687 ' C ' ' CD1' ' A' ' 453' ' ' LEU . 0.0 OUTLIER -69.78 -12.83 61.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . 0.695 ' O ' ' HG3' ' A' ' 458' ' ' LYS . 2.5 tt0 -92.99 -42.23 9.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.427 ' O ' ' HB ' ' A' ' 459' ' ' THR . 4.1 t -68.17 -17.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.715 ' O ' ' N ' ' A' ' 460' ' ' GLU . 10.5 pt -98.91 -48.81 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . 0.56 ' HG3' ' CD2' ' A' ' 453' ' ' LEU . 0.3 OUTLIER -54.67 -19.09 5.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.695 ' HG3' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -110.86 -22.99 11.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' THR . . . . . 0.56 ' O ' ' CG2' ' A' ' 459' ' ' THR . 1.3 m -146.98 53.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.382 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.715 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.3 OUTLIER -57.4 170.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -63.2 -26.22 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.7 OUTLIER 170.57 53.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 4.3 ttm 59.79 156.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 13.4 t -178.16 153.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.593 HD13 ' CD2' ' A' ' 466' ' ' HIS . 0.2 OUTLIER 72.35 -124.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . 1.012 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 11.0 p80 -159.7 -174.79 0.45 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.563 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . 1.012 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 2.9 mt -43.51 -19.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 467' ' ' PRO . 0.0 OUTLIER -91.55 -51.32 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.429 ' HB2' ' NZ ' ' A' ' 457' ' ' LYS . 0.9 OUTLIER -58.35 -29.69 66.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -74.0 -68.45 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 469' ' ' LEU . 2.3 pp -42.11 -60.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' TYR . . . . . 0.448 ' CZ ' HD12 ' A' ' 453' ' ' LEU . 1.4 t80 -47.0 -51.93 16.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . 0.47 ' O ' ' NZ ' ' A' ' 319' ' ' LYS . 0.7 OUTLIER -46.32 169.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.33 154.2 29.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 211' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 211' ' ' LEU . 54.1 m -66.48 -66.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 213' ' ' ALA . . . -51.22 -17.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' ASP . . . . . 0.572 ' HA ' ' HB1' ' A' ' 213' ' ' ALA . 0.0 OUTLIER -97.65 -27.62 14.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.595 ' CD1' ' HA ' ' A' ' 416' ' ' ALA . 0.1 OUTLIER -60.69 -53.46 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . 0.436 ' NH1' ' HA ' ' A' ' 420' ' ' GLN . 2.3 tpm_? -77.91 -28.58 49.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . 0.572 ' HB1' ' HA ' ' A' ' 210' ' ' ASP . . . -71.17 -55.59 7.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 217' ' ' HIS . 0.5 OUTLIER -50.79 -44.45 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -48.22 -59.75 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -47.12 -33.05 4.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 68.1 t60 -73.25 -73.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.595 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.896 ' O ' ' HB2' ' A' ' 222' ' ' TYR . 7.7 mp -37.89 -58.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' TYR . . . . . 0.719 ' CE1' ' CD1' ' A' ' 223' ' ' ILE . 92.8 t80 -58.14 -40.49 81.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 2.4 m-20 -58.41 -63.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' SER . . . . . 1.263 ' O ' ' CD2' ' A' ' 299' ' ' TYR . 0.0 OUTLIER -71.21 6.75 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.032 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 222' ' ' TYR . . . . . 0.896 ' HB2' ' O ' ' A' ' 218' ' ' LEU . 0.1 OUTLIER -113.72 -54.06 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.719 ' CD1' ' CE1' ' A' ' 219' ' ' TYR . 1.4 tp -48.47 -19.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . 0.894 ' HB2' ' CE2' ' A' ' 299' ' ' TYR . 0.7 OUTLIER -94.92 -44.51 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 225' ' ' SER . . . . . 0.722 ' HB2' ' HD2' ' A' ' 299' ' ' TYR . 33.3 t -38.41 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 226' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.88 122.09 86.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.4 2.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.434 ' CD1' HD12 ' A' ' 333' ' ' LEU . 0.2 OUTLIER -95.14 117.56 30.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 229' ' ' THR . . . . . 0.578 ' O ' ' CB ' ' A' ' 233' ' ' ALA . 55.6 p -131.76 -165.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 332' ' ' SER . 0.0 OUTLIER -77.93 -37.28 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . 0.596 ' O ' ' CB ' ' A' ' 235' ' ' ALA . . . -70.62 -20.51 62.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 232' ' ' LYS . . . . . 0.502 ' HA ' ' HB1' ' A' ' 235' ' ' ALA . 0.6 OUTLIER -102.06 -39.6 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 233' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 229' ' ' THR . . . -66.85 -53.97 27.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . 0.67 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.2 OUTLIER -75.59 -15.08 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . 0.809 ' O ' ' C ' ' A' ' 239' ' ' GLY . . . -60.84 -59.61 5.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -73.04 -39.16 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 237' ' ' LEU . . . . . 0.575 ' CD2' ' NH1' ' A' ' 234' ' ' ARG . 0.7 OUTLIER -52.45 -17.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 238' ' ' THR . . . . . 0.546 ' CB ' ' O ' ' A' ' 237' ' ' LEU . 0.1 OUTLIER 162.61 -10.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . 0.809 ' C ' ' O ' ' A' ' 235' ' ' ALA . . . -89.79 57.69 3.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 240' ' ' LYS . . . . . 0.792 ' HD2' ' N ' ' A' ' 240' ' ' LYS . 0.0 OUTLIER 130.22 -144.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 241' ' ' THR . . . . . 0.533 ' CG2' ' HA ' ' A' ' 236' ' ' ILE . 0.0 OUTLIER 46.21 27.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 242' ' ' THR . 0.4 OUTLIER 60.4 12.35 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 243' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 242' ' ' THR . 0.2 OUTLIER 75.47 78.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 244' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 245' ' ' SER . 0.1 OUTLIER -141.68 -72.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 245' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 244' ' ' LYS . 0.8 OUTLIER 154.55 156.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.038 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . 0.842 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo -75.02 165.92 30.27 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 247' ' ' PHE . . . . . 0.655 ' N ' ' HA2' ' A' ' 346' ' ' GLY . 0.1 OUTLIER -46.85 67.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.842 ' N ' ' O ' ' A' ' 246' ' ' PRO . 15.0 p -43.31 147.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 249' ' ' ILE . . . . . 0.469 ' O ' HG22 ' A' ' 349' ' ' THR . 0.4 OUTLIER -130.56 101.39 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 250' ' ' TYR . . . . . 0.557 ' HA ' ' CE1' ' A' ' 352' ' ' PHE . 0.0 OUTLIER -175.19 -33.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . 0.493 ' OD2' ' N ' ' A' ' 253' ' ' ASN . 0.0 OUTLIER -75.93 162.03 28.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 252' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 253' ' ' ASN . 0.0 OUTLIER -45.67 -70.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.042 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.493 ' N ' ' OD2' ' A' ' 251' ' ' ASP . 0.9 OUTLIER -38.92 -58.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 254' ' ' SER . . . . . . . . . . . . . 53.0 p -53.97 -61.33 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 255' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' A' ' 256' ' ' MET . 0.7 OUTLIER -47.55 -69.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 256' ' ' MET . . . . . 0.523 ' N ' ' CD1' ' A' ' 255' ' ' LEU . 0.1 OUTLIER -40.0 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 257' ' ' MET . . . . . 0.647 ' O ' ' N ' ' A' ' 261' ' ' LYS . 48.1 mtm -42.21 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 258' ' ' GLY . . . . . 0.691 ' O ' ' N ' ' A' ' 261' ' ' LYS . . . -30.99 -76.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.531 ' OE2' ' NE ' ' A' ' 280' ' ' ARG . 0.4 OUTLIER -43.23 -38.55 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 261' ' ' LYS . 0.4 OUTLIER -80.68 -15.38 56.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 261' ' ' LYS . . . . . 0.691 ' N ' ' O ' ' A' ' 258' ' ' GLY . 16.3 mmmt 92.77 56.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.463 ' O ' ' CG ' ' A' ' 257' ' ' MET . 2.1 mt 76.06 -51.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -175.86 43.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 264' ' ' PHE . . . . . 0.514 ' CB ' ' HB2' ' A' ' 261' ' ' LYS . 0.3 OUTLIER -120.05 -168.57 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 266' ' ' HIS . 7.7 ttmm -115.84 44.09 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 266' ' ' HIS . . . . . 0.587 ' CD2' ' HD3' ' A' ' 261' ' ' LYS . 2.2 t-160 39.4 72.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.593 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.42 ' CG2' ' N ' ' A' ' 268' ' ' THR . 1.6 mp 62.83 -82.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 268' ' ' THR . . . . . 0.672 HG21 ' N ' ' A' ' 269' ' ' PRO . 0.5 OUTLIER -143.6 175.45 2.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.397 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . 0.672 ' N ' HG21 ' A' ' 268' ' ' THR . 18.1 Cg_endo -75.05 51.51 2.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.544 ' HG ' ' CG2' ' A' ' 268' ' ' THR . 0.0 OUTLIER -78.75 -86.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 271' ' ' GLN . . . . . 0.5 ' C ' ' O ' ' A' ' 270' ' ' LEU . 11.9 pt20 -29.9 108.83 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.65 88.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.305 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 273' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 68.66 -75.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 274' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 275' ' ' LYS . 80.3 p -162.69 76.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 274' ' ' SER . 0.0 OUTLIER -37.96 -63.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 276' ' ' GLU . . . . . 0.678 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 1.9 tt0 -162.25 143.86 10.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 277' ' ' VAL . . . . . 0.517 ' N ' ' HG3' ' A' ' 276' ' ' GLU . 3.3 t -64.99 -11.94 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . 0.825 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -90.2 -63.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 278' ' ' ALA . 0.5 OUTLIER -36.78 -36.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . 0.632 ' CG ' ' N ' ' A' ' 281' ' ' ILE . 2.9 ptt180 -77.76 -51.5 10.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 281' ' ' ILE . . . . . 0.748 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.1 OUTLIER -78.14 -49.85 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 282' ' ' PHE . . . . . 0.825 ' N ' ' O ' ' A' ' 278' ' ' ALA . 2.7 t80 -48.79 -44.61 39.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 283' ' ' GLN . . . . . 0.542 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 29.6 mt-30 -69.33 -37.64 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 284' ' ' GLY . . . . . 0.461 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -82.81 -57.13 2.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 285' ' ' CYS . . . . . 0.748 ' N ' ' O ' ' A' ' 281' ' ' ILE . 11.2 m -52.96 -17.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 286' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 58.2 tp60 -106.3 -25.12 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 287' ' ' PHE . . . . . 0.572 ' CD2' ' OE1' ' A' ' 291' ' ' GLU . 12.8 t80 -52.93 -31.46 40.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -61.29 -22.2 64.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 289' ' ' SER . . . . . 0.509 ' HA ' ' CG2' ' A' ' 326' ' ' ILE . 26.3 t -88.04 -57.18 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.037 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 290' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 294' ' ' GLN . 2.8 m -51.75 -26.83 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . 0.572 ' OE1' ' CD2' ' A' ' 287' ' ' PHE . 28.9 mt-10 -77.06 -63.25 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . 0.584 ' CB ' HG12 ' A' ' 326' ' ' ILE . . . -34.2 -58.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . 0.524 ' CG1' HG12 ' A' ' 322' ' ' VAL . 18.3 t -41.52 -46.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.07 -28.76 60.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 295' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.5 mm-40 -71.23 -53.59 13.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . 0.96 ' O ' ' N ' ' A' ' 300' ' ' ALA . 1.7 mp -55.41 -78.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 297' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 299' ' ' TYR . 1.0 OUTLIER -31.58 -70.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 297' ' ' THR . 1.2 mm-40 -34.94 -31.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 299' ' ' TYR . . . . . 1.263 ' CD2' ' O ' ' A' ' 221' ' ' SER . 0.5 OUTLIER -116.37 -24.96 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 1.116 ' O ' ' N ' ' A' ' 302' ' ' SER . . . -51.44 -53.59 35.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 300' ' ' ALA . 14.9 mttm -33.59 -2.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 302' ' ' SER . . . . . 1.116 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -61.68 -55.69 27.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.027 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 303' ' ' ILE . . . . . 0.512 ' CD1' ' H ' ' A' ' 303' ' ' ILE . 0.0 OUTLIER -46.3 126.25 7.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 304' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.3 Cg_endo -74.99 14.58 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . 0.556 ' O ' ' CD2' ' A' ' 309' ' ' LEU . . . -129.0 -23.02 1.19 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.712 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 0.6 OUTLIER -65.04 -56.3 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.79 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.17 -19.8 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.0 -15.56 61.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.8 mt -69.52 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 310' ' ' ASP . . . . . 0.719 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -141.66 149.43 40.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -46.8 72.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . 0.63 ' HB2' HD12 ' A' ' 401' ' ' LEU . 1.9 m-80 -80.53 -57.31 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' ASP . . . . . 0.719 ' CB ' ' HB3' ' A' ' 310' ' ' ASP . 23.2 t0 -39.66 -48.94 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 314' ' ' GLN . . . . . 0.579 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 25.7 mt-30 -56.81 -54.77 42.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.54 -32.53 58.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.9 HG21 ' HA ' ' A' ' 400' ' ' LEU . 0.9 OUTLIER -57.98 -65.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.392 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 317' ' ' LEU . . . . . 0.883 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -45.13 -44.12 10.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 318' ' ' LEU . . . . . 0.557 ' CD2' ' CG1' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -57.81 -58.02 10.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 474' ' ' LYS . 0.0 OUTLIER -39.09 -40.9 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 320' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -112.51 4.04 17.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 321' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -108.82 -50.97 0.71 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . 0.584 ' O ' ' CD1' ' A' ' 326' ' ' ILE . 3.9 m -37.35 -31.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . 0.698 ' CD2' ' CG2' ' A' ' 446' ' ' VAL . 0.0 OUTLIER -61.27 -60.77 3.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.63 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 324' ' ' GLU . . . . . 0.753 ' O ' ' HB ' ' A' ' 328' ' ' THR . 4.2 mp0 -66.73 1.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 325' ' ' ILE . . . . . 0.622 ' O ' HG22 ' A' ' 328' ' ' THR . 1.0 OUTLIER -100.62 -58.79 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' ILE . . . . . 0.651 ' O ' ' HB2' ' A' ' 330' ' ' LEU . 1.5 mt -60.54 -43.06 93.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.755 ' HA ' ' HB2' ' A' ' 330' ' ' LEU . 29.3 m-85 -76.54 -19.92 57.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' THR . . . . . 0.753 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 0.6 OUTLIER -58.02 -58.71 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' MET . . . . . 0.599 ' N ' ' CG2' ' A' ' 328' ' ' THR . 5.0 ptt? -93.55 -20.66 20.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.755 ' HB2' ' HA ' ' A' ' 327' ' ' TYR . 1.8 mt -38.64 -54.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' ALA . . . . . 0.692 ' HA ' ' HG3' ' A' ' 334' ' ' MET . . . -38.67 -45.75 1.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' SER . . . . . 0.67 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -57.35 -47.04 82.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.996 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . 0.629 HD13 ' N ' ' A' ' 333' ' ' LEU . 0.2 OUTLIER -71.98 24.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' MET . . . . . 0.701 ' CG ' ' HA ' ' A' ' 368' ' ' PHE . 4.9 mmt -109.6 172.93 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' ASN . . . . . 0.793 ' O ' ' CD1' ' A' ' 368' ' ' PHE . 2.1 t-20 -139.52 172.58 12.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' LYS . . . . . 0.771 ' H ' ' ND2' ' A' ' 335' ' ' ASN . 0.1 OUTLIER -62.89 -50.56 70.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' ASP . . . . . 0.533 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 5.9 m-20 -125.65 36.05 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . 0.736 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -173.7 -172.97 39.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 341' ' ' ILE . 1.0 OUTLIER -146.99 128.43 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 333' ' ' LEU . 3.6 mm? -53.24 128.86 29.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 339' ' ' VAL . 0.7 OUTLIER -125.25 114.02 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 3.7 t -50.88 -39.5 54.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.73 98.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 89.57 -5.64 83.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 247' ' ' PHE . 5.1 mp0 64.55 53.87 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . 0.655 ' HA2' ' N ' ' A' ' 247' ' ' PHE . . . -132.5 -126.64 2.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.631 ' CE1' HG21 ' A' ' 349' ' ' THR . 0.5 OUTLIER -177.45 142.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 110.989 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.654 ' N ' HG21 ' A' ' 341' ' ' ILE . 21.6 ttm -94.69 116.51 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' THR . . . . . 0.736 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.0 p -63.7 155.55 29.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . 0.677 ' NE ' ' OE2' ' A' ' 365' ' ' GLU . 30.3 ttm180 -57.07 -53.66 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' GLU . . . . . 0.579 ' O ' ' HB2' ' A' ' 355' ' ' SER . 2.9 pt-20 -42.63 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' PHE . . . . . 0.557 ' CE1' ' HA ' ' A' ' 250' ' ' TYR . 0.1 OUTLIER -86.92 -54.67 4.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' LEU . . . . . 0.782 ' O ' ' CD1' ' A' ' 356' ' ' LEU . 0.7 OUTLIER -53.74 -53.08 57.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' LYS . . . . . 0.681 ' O ' ' N ' ' A' ' 356' ' ' LEU . 5.2 mtpm? -64.79 -36.27 83.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' SER . . . . . 0.579 ' HB2' ' O ' ' A' ' 351' ' ' GLU . 0.4 OUTLIER -59.31 63.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' LEU . . . . . 0.782 ' CD1' ' O ' ' A' ' 353' ' ' LEU . 4.6 mt -149.63 -155.6 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 357' ' ' ARG . . . . . 0.678 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 2.1 mtm180 -68.77 160.52 30.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' LYS . . . . . 0.845 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.38 -66.65 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.845 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.2 Cg_endo -75.02 -62.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' PHE . . . . . 0.57 ' O ' HD12 ' A' ' 356' ' ' LEU . 2.3 m-30 -48.43 -11.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 357' ' ' ARG . . . -86.85 34.03 3.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 362' ' ' ASP . . . . . 0.532 ' O ' ' OD1' ' A' ' 362' ' ' ASP . 50.4 p30 -177.98 59.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 363' ' ' PHE . . . . . 0.498 ' O ' ' NZ ' ' A' ' 367' ' ' LYS . 0.6 OUTLIER -105.39 -22.44 13.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 364' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 285' ' ' CYS . 0.3 OUTLIER -128.29 -4.94 5.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . 0.756 ' OE1' ' CE2' ' A' ' 368' ' ' PHE . 1.6 tp10 -74.83 -36.24 2.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.2 Cg_endo -75.01 -32.95 4.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.548 1.815 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 367' ' ' LYS . . . . . 0.631 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 0.2 OUTLIER -69.97 -60.8 2.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 368' ' ' PHE . . . . . 0.793 ' CD1' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -59.92 -47.99 83.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . 0.579 ' CB ' ' O ' ' A' ' 365' ' ' GLU . 6.1 tt0 -50.64 -45.31 57.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 370' ' ' PHE . . . . . 0.698 ' CG ' ' CD1' ' A' ' 445' ' ' ILE . 3.7 m-85 -70.28 -33.93 72.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' A' ' 331' ' ' ALA . . . -57.17 -47.47 81.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.53 -15.63 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -102.19 -25.45 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 374' ' ' PHE . . . . . 0.668 ' CE1' ' OD1' ' A' ' 441' ' ' ASP . 0.1 OUTLIER -90.04 -35.79 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . 0.4 ' C ' ' H ' ' A' ' 377' ' ' LEU . 1.2 m-80 -57.98 -11.02 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -83.96 26.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.49 ' CD1' ' HE2' ' A' ' 438' ' ' LYS . 1.2 pp -167.04 4.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . 0.492 ' O ' ' CD2' ' A' ' 379' ' ' LEU . 1.3 mt-10 -73.35 -172.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . 0.557 ' HB3' ' OD2' ' A' ' 383' ' ' ASP . 6.6 mt -136.53 -134.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . 0.7 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 0.4 OUTLIER -110.98 148.45 32.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . 0.527 ' OD2' ' CB ' ' A' ' 231' ' ' ALA . 1.5 m-20 -38.17 -29.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 382' ' ' SER . . . . . 0.63 ' HA ' ' CD1' ' A' ' 219' ' ' TYR . 0.3 OUTLIER -58.46 -62.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.039 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . 0.557 ' OD2' ' HB3' ' A' ' 379' ' ' LEU . 5.9 m-20 -63.45 -20.17 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 11.3 mt -81.91 -61.7 1.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 381' ' ' ASP . . . -36.48 -42.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 413' ' ' LEU . 20.0 mt -70.1 -54.32 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 390' ' ' VAL . 1.3 t80 -35.26 -53.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 388' ' ' ILE . . . . . 0.658 ' CG2' ' CZ ' ' A' ' 222' ' ' TYR . 0.3 OUTLIER -43.21 -50.54 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . 0.489 ' HB3' ' CD1' ' A' ' 413' ' ' LEU . . . -62.33 -34.02 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . 0.507 ' O ' ' OE1' ' A' ' 410' ' ' GLN . 39.2 t -69.22 -7.05 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.609 HG22 ' C ' ' A' ' 324' ' ' GLU . 17.1 mm -110.22 -17.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' ILE . . . . . 0.703 ' C ' ' H ' ' A' ' 394' ' ' SER . 0.1 OUTLIER -84.15 -56.86 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . 0.778 ' CB ' ' HG3' ' A' ' 410' ' ' GLN . 3.6 mm? -66.34 19.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' SER . . . . . 0.703 ' H ' ' C ' ' A' ' 392' ' ' ILE . 0.8 OUTLIER -76.71 117.01 17.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.045 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' GLY . . . . . 0.567 ' HA2' ' CD1' ' A' ' 400' ' ' LEU . . . -97.67 46.57 1.62 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' ASP . . . . . 0.54 ' OD1' ' CZ ' ' A' ' 397' ' ' ARG . 1.1 p-10 -101.12 -23.66 14.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' ARG . . . . . 0.919 ' HB2' ' HG ' ' A' ' 400' ' ' LEU . 14.0 mmt180 -61.03 123.36 75.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 10.2 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . 0.569 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . -125.69 30.62 4.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.919 ' HG ' ' HB2' ' A' ' 397' ' ' ARG . 16.7 mt -91.3 -176.55 4.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.767 . . . . 0.0 109.264 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.63 HD12 ' HB2' ' A' ' 312' ' ' ASN . 14.5 mt -126.04 -62.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . 0.953 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 1.8 m120 -108.71 79.61 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' VAL . . . . . 0.533 ' HA ' ' CD1' ' A' ' 406' ' ' ILE . 1.0 OUTLIER -71.45 -13.02 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.763 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -70.74 -51.49 11.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . 0.953 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -21.91 15.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . 0.78 HG13 ' O ' ' A' ' 402' ' ' ASN . 41.5 mt -68.66 -79.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -18.8 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . 0.763 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 29.1 m-20 -74.28 -59.65 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' ILE . . . . . 0.729 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 25.0 mm -56.96 -21.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . 0.778 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -73.8 -45.29 52.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . 0.475 ' HA ' ' CD2' ' A' ' 414' ' ' LEU . 15.8 t70 -42.34 -24.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . 0.483 ' N ' ' C ' ' A' ' 410' ' ' GLN . 1.8 t-20 -88.92 -68.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 409' ' ' ILE . 0.5 OUTLIER -36.89 -47.61 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 415' ' ' GLN . 0.9 OUTLIER -60.72 -54.67 42.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.563 ' N ' ' CD1' ' A' ' 414' ' ' LEU . 21.5 mt-30 -43.88 -57.21 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.688 ' O ' ' N ' ' A' ' 420' ' ' GLN . . . -48.87 -57.57 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . 0.697 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -38.66 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' GLU . . . . . 0.579 ' HB2' ' CD2' ' A' ' 432' ' ' PHE . 31.4 tt0 -50.64 -32.44 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.249 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.528 ' CD2' ' CD1' ' A' ' 423' ' ' LEU . 0.7 OUTLIER -70.04 -73.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' GLN . . . . . 0.688 ' N ' ' O ' ' A' ' 416' ' ' ALA . 0.0 OUTLIER -43.21 -35.87 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.561 ' CD1' ' C ' ' A' ' 421' ' ' LEU . 0.1 OUTLIER -73.28 -41.17 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . 0.538 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 4.4 mttt -77.91 6.67 7.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.528 ' CD1' ' CD2' ' A' ' 419' ' ' LEU . 10.0 mt -123.32 -42.52 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.645 ' ND2' ' CD2' ' A' ' 425' ' ' HIS . 0.0 OUTLIER -81.17 -16.07 53.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.645 ' CD2' ' ND2' ' A' ' 424' ' ' ASN . 0.3 OUTLIER 177.08 73.15 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.589 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.538 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.3 Cg_endo -74.95 151.76 40.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 170.32 175.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 36.6 t 63.64 -100.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 3.2 p 171.21 -66.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -102.83 25.99 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 430' ' ' GLN . 0.7 OUTLIER -38.25 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' PHE . . . . . 0.661 ' CD1' HD11 ' A' ' 417' ' ' LEU . 0.5 OUTLIER -84.91 -49.04 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' ALA . . . . . 0.648 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -44.5 -24.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.468 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.3 OUTLIER -98.02 -48.26 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' LEU . . . . . 0.492 ' CD1' HD23 ' A' ' 417' ' ' LEU . 0.3 OUTLIER -39.52 -38.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.58 ' CD2' ' CE1' ' A' ' 432' ' ' PHE . 3.3 pp -74.62 -49.44 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' GLN . . . . . 0.648 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 1.3 mt-30 -49.73 -11.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.614 ' HD3' ' CE2' ' A' ' 374' ' ' PHE . 3.1 mmpm? -48.63 -29.83 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' MET . . . . . 0.69 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.05 -46.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.761 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.1 OUTLIER -31.08 -95.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.668 ' OD1' ' CE1' ' A' ' 374' ' ' PHE . 0.5 OUTLIER -44.92 -22.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.539 ' O ' ' CG2' ' A' ' 446' ' ' VAL . 1.0 OUTLIER -73.45 -79.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . 0.69 ' N ' ' O ' ' A' ' 439' ' ' MET . 1.2 ttt180 -58.72 -19.79 43.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.234 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.761 ' HB2' ' O ' ' A' ' 440' ' ' THR . 13.6 mm-40 -75.84 -79.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.698 ' CD1' ' CG ' ' A' ' 370' ' ' PHE . 10.1 mt -44.92 -45.45 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.698 ' CG2' ' CD2' ' A' ' 323' ' ' HIS . 68.6 t -51.93 -66.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 444' ' ' GLN . 15.3 t -46.26 -24.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.43 -52.41 9.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' HIS . . . . . 0.468 ' ND1' ' OH ' ' A' ' 327' ' ' TYR . 0.1 OUTLIER -42.81 -31.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.598 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' A' ' 454' ' ' GLN . 21.9 t -82.01 -49.4 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' GLN . . . . . 0.476 ' O ' ' CG2' ' A' ' 455' ' ' VAL . 4.6 mt-30 -44.94 -25.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.401 ' N ' ' C ' ' A' ' 450' ' ' VAL . 1.6 mt -86.71 -68.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.528 ' CD2' ' CZ ' ' A' ' 473' ' ' TYR . 0.1 OUTLIER -58.56 -17.18 19.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . 0.675 ' O ' ' CG ' ' A' ' 458' ' ' LYS . 0.7 OUTLIER -80.56 -50.52 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 451' ' ' GLN . 95.4 t -70.62 -6.02 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.885 ' O ' ' N ' ' A' ' 460' ' ' GLU . 1.4 tp -105.91 -59.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . 0.616 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 0.0 OUTLIER -49.76 -20.04 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.675 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -102.6 -39.4 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' THR . . . . . 0.527 ' O ' ' CG2' ' A' ' 459' ' ' THR . 2.1 m -126.39 39.52 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.885 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.2 OUTLIER -44.12 170.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.5 OUTLIER -72.28 -22.45 61.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 461' ' ' THR . 4.2 t0 170.72 54.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 5.5 ttt 62.07 152.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 465' ' ' LEU . 3.6 m -164.62 175.84 9.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.588 HD13 ' CD2' ' A' ' 466' ' ' HIS . 0.1 OUTLIER 39.29 -127.06 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . 0.908 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 13.2 p80 -158.59 -177.3 0.72 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . 0.908 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.99 -44.88 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.585 ' N ' ' HD1' ' A' ' 466' ' ' HIS . 0.5 OUTLIER -43.86 -20.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . 0.524 ' N ' ' C ' ' A' ' 467' ' ' PRO . 0.0 OUTLIER -89.26 -56.86 3.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.484 ' CG ' ' HD2' ' A' ' 457' ' ' LYS . 1.4 tt0 -46.76 -28.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -76.05 -53.25 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.0 OUTLIER -45.43 -57.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' TYR . . . . . 0.528 ' CZ ' ' CD2' ' A' ' 453' ' ' LEU . 0.3 OUTLIER -56.29 -47.79 77.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . 0.446 ' O ' ' NZ ' ' A' ' 319' ' ' LYS . 0.0 OUTLIER -54.67 -169.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.69 140.37 29.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 1.031 ' O ' ' HB3' ' A' ' 211' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' SER . . . . . 0.72 ' O ' ' C ' ' A' ' 209' ' ' ALA . 4.4 m -33.84 -70.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.889 ' O ' ' CB ' ' A' ' 213' ' ' ALA . . . 0.15 -113.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' ASP . . . . . 0.566 ' O ' ' HB3' ' A' ' 214' ' ' LEU . 2.1 p30 -105.69 -12.59 15.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 1.031 ' HB3' ' O ' ' A' ' 207' ' ' GLU . 0.1 OUTLIER -56.97 -60.57 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . 0.44 ' NH2' ' HB2' ' A' ' 420' ' ' GLN . 0.3 OUTLIER -94.55 -21.82 18.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . 0.889 ' CB ' ' O ' ' A' ' 209' ' ' ALA . . . -72.42 -57.96 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . 0.566 ' HB3' ' O ' ' A' ' 210' ' ' ASP . 11.8 tp -56.78 -55.55 32.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -42.36 -67.61 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -51.96 -28.31 16.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' HIS . . . . . 0.586 ' O ' ' N ' ' A' ' 220' ' ' ASP . 33.0 t60 -73.27 -73.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.644 ' O ' ' HB2' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -36.89 -50.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' TYR . . . . . 0.558 ' CE2' HD13 ' A' ' 223' ' ' ILE . 19.1 t80 -70.54 -32.61 70.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 217' ' ' HIS . 0.7 OUTLIER -61.37 -75.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' SER . . . . . 0.748 ' CB ' ' HB2' ' A' ' 302' ' ' SER . 67.2 m -50.53 -29.07 9.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 222' ' ' TYR . . . . . 0.705 ' CE2' ' HA ' ' A' ' 385' ' ' ALA . 0.6 OUTLIER -71.82 -49.83 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.558 HD13 ' CE2' ' A' ' 219' ' ' TYR . 1.1 mp -52.06 -10.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . 0.532 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.1 OUTLIER -94.61 -44.09 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 225' ' ' SER . . . . . 0.629 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 29.5 t -59.36 -77.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 226' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 226' ' ' PHE . 0.0 OUTLIER -113.77 110.09 49.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 227' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.4 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.543 ' CD1' ' HB2' ' A' ' 233' ' ' ALA . 0.5 OUTLIER -59.46 80.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 229' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 227' ' ' PRO . 15.5 p -83.52 -165.68 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . 0.553 ' HB2' ' CB ' ' A' ' 332' ' ' SER . 0.2 OUTLIER -75.36 -27.81 59.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 235' ' ' ALA . . . -76.14 -39.78 54.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 232' ' ' LYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 236' ' ' ILE . 1.4 mttp -73.04 -40.56 65.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 233' ' ' ALA . . . . . 0.543 ' HB2' ' CD1' ' A' ' 228' ' ' LEU . . . -68.05 -47.75 67.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . 0.654 ' NE ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -77.07 1.29 18.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . 0.877 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -87.48 -69.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.583 ' CD1' ' O ' ' A' ' 232' ' ' LYS . 0.0 OUTLIER -61.45 -37.55 78.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 237' ' ' LEU . . . . . 0.61 HD12 ' NH1' ' A' ' 234' ' ' ARG . 26.6 mt -51.73 -34.1 37.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 238' ' ' THR . . . . . 0.736 ' O ' ' N ' ' A' ' 240' ' ' LYS . 1.9 t -161.98 -35.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . 0.877 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -14.49 -49.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 240' ' ' LYS . . . . . 0.736 ' N ' ' O ' ' A' ' 238' ' ' THR . 0.0 OUTLIER 148.11 -88.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.753 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 241' ' ' THR . . . . . 0.576 ' CG2' ' O ' ' A' ' 240' ' ' LYS . 8.8 t 51.31 46.04 27.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.365 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.547 ' CG2' ' O ' ' A' ' 242' ' ' THR . 0.4 OUTLIER 53.19 15.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.382 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 243' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 242' ' ' THR . 0.0 OUTLIER 81.91 0.18 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 244' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 241' ' ' THR . 0.1 OUTLIER -38.0 -49.32 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 245' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 243' ' ' ASP . 6.1 m 73.58 146.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . 0.763 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo -74.99 111.21 3.27 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 247' ' ' PHE . . . . . 0.615 ' C ' ' O ' ' A' ' 246' ' ' PRO . 14.4 t80 -14.22 75.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.763 ' N ' ' O ' ' A' ' 246' ' ' PRO . 1.5 m -58.84 101.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 249' ' ' ILE . . . . . 0.544 ' CG2' ' HG2' ' A' ' 348' ' ' MET . 0.7 OUTLIER -74.47 100.55 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 250' ' ' TYR . . . . . 0.618 ' CD1' ' N ' ' A' ' 251' ' ' ASP . 0.2 OUTLIER -158.93 -37.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 250' ' ' TYR . 1.7 p30 -68.23 153.5 43.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 252' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.72 -39.75 8.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -57.1 -56.77 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 254' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 249' ' ' ILE . 0.1 OUTLIER -51.85 -51.93 53.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.031 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 255' ' ' LEU . . . . . 0.492 HD12 ' CE2' ' A' ' 352' ' ' PHE . 3.9 tt -44.53 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 256' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -67.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 257' ' ' MET . . . . . 0.666 ' O ' ' N ' ' A' ' 261' ' ' LYS . 4.1 mtt -39.39 -79.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 258' ' ' GLY . . . . . 0.5 ' N ' ' HD3' ' A' ' 261' ' ' LYS . . . -34.7 -72.38 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.57 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 0.9 OUTLIER -40.52 -26.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 110.318 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 257' ' ' MET . 0.1 OUTLIER -96.09 -44.12 7.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 261' ' ' LYS . . . . . 0.666 ' N ' ' O ' ' A' ' 257' ' ' MET . 0.2 OUTLIER -46.19 -49.38 17.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.51 ' O ' ' CB ' ' A' ' 263' ' ' LYS . 10.5 mt -52.41 94.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 262' ' ' ILE . 2.9 mttt 88.56 -51.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 264' ' ' PHE . . . . . 0.428 ' HA ' ' O ' ' A' ' 260' ' ' ASP . 72.1 t80 57.27 156.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 264' ' ' PHE . 2.6 tttp 38.18 55.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.6 30.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.57 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 19.2 mm -87.33 134.28 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 268' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 269' ' ' PRO . 0.5 OUTLIER -151.57 174.68 3.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . 0.645 ' N ' HG22 ' A' ' 268' ' ' THR . 18.3 Cg_endo -74.97 53.48 3.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.641 ' O ' ' C ' ' A' ' 271' ' ' GLN . 0.0 OUTLIER -84.6 -89.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 271' ' ' GLN . . . . . 0.641 ' C ' ' O ' ' A' ' 270' ' ' LEU . 4.8 pt20 -13.28 93.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 270' ' ' LEU . 22.4 tt0 -63.22 87.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 273' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 40.48 67.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 274' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 275' ' ' LYS . 0.4 OUTLIER -123.96 -66.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.999 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 274' ' ' SER . 0.0 OUTLIER 39.04 43.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 276' ' ' GLU . . . . . 0.723 ' CG ' ' H ' ' A' ' 278' ' ' ALA . 4.6 tt0 -97.13 142.36 29.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 277' ' ' VAL . . . . . 0.618 ' O ' ' HB ' ' A' ' 281' ' ' ILE . 2.3 t -66.33 -16.44 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . 0.788 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -86.48 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 0.547 ' H ' ' HG2' ' A' ' 276' ' ' GLU . 0.1 OUTLIER -36.51 -38.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . 0.619 ' HG3' ' H ' ' A' ' 281' ' ' ILE . 0.0 OUTLIER -76.56 -48.12 20.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 281' ' ' ILE . . . . . 0.717 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.1 OUTLIER -74.5 -44.79 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 282' ' ' PHE . . . . . 0.788 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.6 OUTLIER -50.78 -45.36 59.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 283' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 284' ' ' GLY . 12.5 pt20 -69.45 -34.3 74.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 284' ' ' GLY . . . . . 0.482 ' N ' ' HG3' ' A' ' 283' ' ' GLN . . . -84.24 -56.53 2.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 285' ' ' CYS . . . . . 0.717 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.0 OUTLIER -54.74 -16.35 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 286' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 4.4 tm0? -103.32 -27.98 12.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 287' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 283' ' ' GLN . 29.0 t80 -51.48 -45.37 62.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -22.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.04 -54.2 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 290' ' ' VAL . . . . . 0.534 ' O ' ' CG1' ' A' ' 293' ' ' VAL . 3.5 m -50.94 -22.46 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 294' ' ' GLN . 57.2 mt-10 -84.11 -59.76 2.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . 0.616 ' O ' ' N ' ' A' ' 295' ' ' GLU . . . -34.67 -56.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.245 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 290' ' ' VAL . 0.3 OUTLIER -39.59 -45.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.15 -27.63 59.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 295' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 292' ' ' ALA . 10.5 mm-40 -76.55 -50.13 14.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . 0.716 ' O ' ' N ' ' A' ' 300' ' ' ALA . 2.3 mp -46.98 -65.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 297' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 296' ' ' ILE . 0.9 OUTLIER -37.36 -62.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.31 -27.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 299' ' ' TYR . . . . . 0.775 ' O ' ' HB2' ' A' ' 302' ' ' SER . 1.0 OUTLIER -105.5 -36.35 7.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.734 ' C ' ' H ' ' A' ' 302' ' ' SER . . . -53.47 -54.56 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -49.89 -0.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 302' ' ' SER . . . . . 0.775 ' HB2' ' O ' ' A' ' 299' ' ' TYR . 8.6 t -71.2 -41.19 70.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 303' ' ' ILE . . . . . 0.478 ' CG2' ' CD2' ' A' ' 413' ' ' LEU . 0.5 OUTLIER -69.82 124.32 90.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 45.91 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.462 1.77 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . 0.567 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -159.29 -29.1 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.839 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 2.7 t80 -56.48 -61.08 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -22.35 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -75.43 -13.76 60.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.839 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.9 mt -67.47 -108.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 310' ' ' ASP . . . . . 0.775 ' HB3' ' HB2' ' A' ' 313' ' ' ASP . 8.7 t70 -146.91 155.13 42.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -48.39 68.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . 0.566 ' HB2' ' CD1' ' A' ' 401' ' ' LEU . 31.8 m-80 -81.21 -58.87 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' ASP . . . . . 0.775 ' HB2' ' HB3' ' A' ' 310' ' ' ASP . 6.3 t0 -36.52 -46.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 314' ' ' GLN . . . . . 0.67 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 23.5 mt-30 -61.57 -60.46 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.73 -48.31 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.471 HG21 ' O ' ' A' ' 398' ' ' PRO . 3.0 m -44.32 -55.26 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 317' ' ' LEU . . . . . 0.782 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.0 OUTLIER -48.5 -55.51 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 318' ' ' LEU . . . . . 0.491 HD23 ' CG2' ' A' ' 296' ' ' ILE . 0.2 OUTLIER -60.23 -43.41 96.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.621 ' NZ ' ' O ' ' A' ' 473' ' ' TYR . 0.7 OUTLIER -45.1 -29.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 320' ' ' TYR . . . . . 0.481 ' CB ' ' HB3' ' A' ' 397' ' ' ARG . 1.9 t80 -131.97 4.98 4.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 321' ' ' GLY . . . . . 0.782 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -103.92 -47.48 1.26 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . 0.607 ' O ' HG13 ' A' ' 326' ' ' ILE . 2.7 p -44.59 -24.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . 0.512 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 16.4 m-70 -66.14 -58.7 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.563 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 324' ' ' GLU . . . . . 0.874 ' O ' ' HB ' ' A' ' 328' ' ' THR . 2.8 mt-10 -70.31 6.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 325' ' ' ILE . . . . . 0.877 ' O ' HG21 ' A' ' 328' ' ' THR . 1.1 mp -106.6 -46.67 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' ILE . . . . . 0.607 HG13 ' O ' ' A' ' 322' ' ' VAL . 10.6 mt -79.3 -39.64 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.677 ' CD2' HG23 ' A' ' 446' ' ' VAL . 27.4 m-85 -76.71 -20.91 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' THR . . . . . 0.877 HG21 ' O ' ' A' ' 325' ' ' ILE . 6.5 t -72.52 -56.89 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' MET . . . . . 0.555 ' N ' ' CG2' ' A' ' 328' ' ' THR . 13.7 ptt? -78.86 -21.48 47.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.62 ' O ' ' N ' ' A' ' 333' ' ' LEU . 2.3 mt -51.3 -57.27 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' ALA . . . . . 0.697 ' O ' ' HB2' ' A' ' 334' ' ' MET . . . -32.58 -50.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' SER . . . . . 0.654 ' O ' ' NE ' ' A' ' 234' ' ' ARG . 69.1 m -60.91 -45.8 93.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.053 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . 0.63 ' CD1' ' N ' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -70.98 13.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' MET . . . . . 0.697 ' HB2' ' O ' ' A' ' 331' ' ' ALA . 3.2 mmt -94.49 170.46 9.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' ASN . . . . . 0.56 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 0.8 OUTLIER -145.68 165.26 29.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' LYS . . . . . 0.56 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -40.07 -51.8 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 5.7 m-20 -143.62 42.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . 0.787 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -163.93 175.84 40.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . 0.756 ' O ' HG21 ' A' ' 341' ' ' ILE . 7.4 p -143.41 132.96 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.539 ' CD2' HD13 ' A' ' 237' ' ' LEU . 0.4 OUTLIER -53.71 128.9 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' ILE . . . . . 0.756 HG21 ' O ' ' A' ' 339' ' ' VAL . 3.1 pt -128.8 127.23 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 345' ' ' GLN . 0.6 OUTLIER 46.22 103.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.003 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -43.99 -32.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -95.05 29.38 9.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 342' ' ' SER . 8.3 tp-100 -135.81 -103.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . 0.538 ' HA3' ' CA ' ' A' ' 247' ' ' PHE . . . -161.43 -108.49 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.642 ' C ' ' CD1' ' A' ' 347' ' ' PHE . 0.3 OUTLIER -170.65 149.3 3.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 110.974 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.581 ' HE3' ' CD2' ' A' ' 352' ' ' PHE . 0.0 OUTLIER -96.8 121.86 39.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' THR . . . . . 0.787 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 1.3 p -69.6 150.81 46.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . 0.824 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 25.6 ttp180 -65.33 -52.93 50.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' GLU . . . . . 0.595 ' O ' ' CB ' ' A' ' 355' ' ' SER . 0.8 OUTLIER -39.9 -23.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' PHE . . . . . 0.6 ' O ' HD21 ' A' ' 356' ' ' LEU . 0.5 OUTLIER -87.04 -61.29 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' LEU . . . . . 0.543 ' O ' ' HG ' ' A' ' 356' ' ' LEU . 0.3 OUTLIER -68.19 -24.55 64.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' LYS . . . . . 0.743 ' HA ' ' O ' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -91.44 -19.74 22.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 0.0 OUTLIER -55.99 -42.81 76.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.979 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' LEU . . . . . 0.93 ' CD1' ' HA2' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -41.68 175.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 357' ' ' ARG . . . . . 0.696 ' HG3' ' C ' ' A' ' 360' ' ' PHE . 0.6 OUTLIER -34.55 129.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' LYS . . . . . 0.801 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -31.78 -53.5 0.5 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.801 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.01 -90.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' PHE . . . . . 0.724 ' CE1' ' CD1' ' A' ' 456' ' ' ILE . 2.9 m-85 -67.84 39.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . 0.93 ' HA2' ' CD1' ' A' ' 356' ' ' LEU . . . -138.65 22.15 3.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 362' ' ' ASP . . . . . 0.55 ' OD1' ' O ' ' A' ' 358' ' ' LYS . 0.0 OUTLIER -172.03 72.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 363' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -97.09 6.73 48.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 364' ' ' MET . . . . . 0.549 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 1.1 ttt -121.07 -6.28 9.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . 0.824 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 4.6 tp10 -58.61 -38.3 63.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.96 -18.97 18.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 367' ' ' LYS . . . . . 0.635 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 25.1 mttp -77.1 -47.86 19.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 368' ' ' PHE . . . . . 0.678 ' CE1' ' HB ' ' A' ' 339' ' ' VAL . 4.3 m-30 -58.45 -48.38 80.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . 0.436 ' O ' HG11 ' A' ' 372' ' ' VAL . 4.5 tt0 -60.64 -46.81 88.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 370' ' ' PHE . . . . . 0.62 ' CE2' ' HB3' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -60.07 -35.73 75.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 331' ' ' ALA . . . -66.74 -60.72 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 372' ' ' VAL . . . . . 0.436 HG11 ' O ' ' A' ' 369' ' ' GLU . 4.3 p -50.38 -20.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -95.52 -26.5 15.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 374' ' ' PHE . . . . . 0.696 ' CZ ' ' HG3' ' A' ' 438' ' ' LYS . 0.2 OUTLIER -87.04 -41.52 13.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . 0.518 ' OD1' ' C ' ' A' ' 371' ' ' ALA . 3.1 m120 -55.24 -16.95 3.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -90.64 35.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 1.0 OUTLIER -173.71 4.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.18 -174.19 4.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . 0.428 ' CD1' HD12 ' A' ' 435' ' ' LEU . 22.2 mt -134.26 -126.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 382' ' ' SER . 56.8 p30 -116.84 140.23 49.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . 0.674 ' O ' ' N ' ' A' ' 385' ' ' ALA . 60.4 m-20 -27.05 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 382' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 380' ' ' ASP . 0.3 OUTLIER -46.51 -68.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . 0.406 ' OD2' ' CB ' ' A' ' 379' ' ' LEU . 8.7 m-20 -58.93 -25.25 63.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . 0.686 ' C ' ' H ' ' A' ' 386' ' ' ILE . 10.5 mt -75.02 -53.3 9.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . 0.705 ' HA ' ' CE2' ' A' ' 222' ' ' TYR . . . -66.57 17.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.686 ' H ' ' C ' ' A' ' 384' ' ' LEU . 3.1 mm -118.69 -67.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . 0.673 ' C ' ' CD1' ' A' ' 387' ' ' PHE . 0.3 OUTLIER -50.26 -31.39 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 388' ' ' ILE . . . . . 0.599 HG12 HG13 ' A' ' 325' ' ' ILE . 0.0 OUTLIER -53.03 -48.4 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . 0.458 ' N ' HG23 ' A' ' 388' ' ' ILE . . . -62.9 -33.12 74.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . 0.616 ' CG2' ' O ' ' A' ' 387' ' ' PHE . 0.9 OUTLIER -67.32 -23.6 30.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.602 ' CG2' ' CB ' ' A' ' 324' ' ' GLU . 68.0 mt -79.94 -22.54 11.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' ILE . . . . . 0.746 ' CG2' ' CE1' ' A' ' 306' ' ' PHE . 7.0 mm -75.86 -56.21 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . 0.776 ' CD1' ' HB ' ' A' ' 409' ' ' ILE . 4.1 mm? -66.63 35.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' SER . . . . . 0.669 ' H ' ' C ' ' A' ' 392' ' ' ILE . 75.2 m -86.95 93.9 9.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' GLY . . . . . 0.574 ' N ' ' CG2' ' A' ' 406' ' ' ILE . . . -74.31 63.03 2.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 0.0 111.069 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' ASP . . . . . 0.408 ' C ' ' HD3' ' A' ' 397' ' ' ARG . 1.3 t70 -149.35 18.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 317' ' ' LEU . 4.0 mmt180 -95.68 155.76 38.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . 0.471 ' O ' HG21 ' A' ' 316' ' ' THR . 18.2 Cg_endo -75.01 128.04 11.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . 0.418 ' O ' ' OG1' ' A' ' 316' ' ' THR . . . 91.62 37.3 6.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.636 ' CD2' HD12 ' A' ' 317' ' ' LEU . 0.2 OUTLIER -87.96 139.92 30.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.566 ' CD1' ' HB2' ' A' ' 312' ' ' ASN . 17.9 mt -97.69 -68.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . 1.332 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 4.6 m120 -110.07 83.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' VAL . . . . . 0.616 ' CG2' HD13 ' A' ' 400' ' ' LEU . 1.2 t -69.18 -3.11 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.664 ' N ' ' CD ' ' A' ' 405' ' ' PRO . 3.0 mtmt -79.45 -42.91 1.61 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . 1.332 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -24.16 13.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . 1.267 ' CD1' ' O ' ' A' ' 402' ' ' ASN . 4.1 mp -70.51 -51.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.2 -18.33 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . 0.558 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 93.4 m-20 -79.25 -58.11 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' ILE . . . . . 0.776 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 20.3 mm -58.03 -25.15 25.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . 0.699 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -71.14 -43.97 66.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -46.97 -25.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 410' ' ' GLN . 1.0 OUTLIER -86.58 -50.63 6.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 409' ' ' ILE . 2.7 mt -54.31 -41.45 69.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.513 ' CD1' ' HB ' ' A' ' 390' ' ' VAL . 9.1 mp -60.36 -46.16 90.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.635 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 40.6 mt-30 -51.96 -57.61 8.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.587 ' CA ' ' HB3' ' A' ' 419' ' ' LEU . . . -46.25 -50.6 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . 0.662 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -46.15 -82.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' GLU . . . . . 0.548 ' H ' ' CD1' ' A' ' 417' ' ' LEU . 0.9 OUTLIER -56.01 -17.09 5.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.754 HD13 ' HA ' ' A' ' 211' ' ' LEU . 0.3 OUTLIER -68.58 -82.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' GLN . . . . . 0.545 ' O ' ' CG ' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -60.83 -5.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.586 ' CD2' ' CE1' ' A' ' 425' ' ' HIS . 0.1 OUTLIER -88.5 -54.29 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 418' ' ' GLU . 0.0 OUTLIER -78.83 9.91 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.547 ' CD1' HD22 ' A' ' 211' ' ' LEU . 12.1 mt -118.59 -39.84 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.628 ' CG ' ' CD2' ' A' ' 425' ' ' HIS . 42.1 p-10 -82.3 -13.44 56.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.628 ' CD2' ' CG ' ' A' ' 424' ' ' ASN . 33.0 p80 172.37 76.41 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.52 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.98 153.67 42.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 428' ' ' SER . 29.8 tt0 175.5 134.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 427' ' ' GLU . 0.3 OUTLIER 87.17 -148.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 3.0 p -124.87 -77.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' GLN . . . . . 0.468 ' C ' ' N ' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -97.58 26.92 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 430' ' ' GLN . 0.2 OUTLIER -39.01 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' PHE . . . . . 0.74 ' CD1' ' C ' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -85.45 -49.25 8.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' ALA . . . . . 0.649 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -44.17 -23.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.595 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 1.2 ptpm? -99.72 -47.76 4.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' LEU . . . . . 0.531 ' HA ' ' CE ' ' A' ' 438' ' ' LYS . 0.4 OUTLIER -37.51 -38.8 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' A' ' 439' ' ' MET . 50.9 mt -78.88 -48.78 14.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' GLN . . . . . 0.649 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 2.0 mm-40 -42.12 -17.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.696 ' HG3' ' CZ ' ' A' ' 374' ' ' PHE . 0.2 OUTLIER -52.43 -25.98 11.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 0.0 OUTLIER -25.85 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.642 ' O ' ' N ' ' A' ' 444' ' ' GLN . 73.1 p -30.85 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.521 ' O ' HG13 ' A' ' 445' ' ' ILE . 1.3 m-20 -41.05 -25.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.563 ' N ' ' O ' ' A' ' 439' ' ' MET . 0.5 OUTLIER -75.83 -82.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 439' ' ' MET . 1.2 ttt180 -58.25 -25.62 61.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.642 ' N ' ' O ' ' A' ' 440' ' ' THR . 0.0 OUTLIER -71.55 -73.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.703 ' CG2' ' CE1' ' A' ' 449' ' ' HIS . 25.4 mt -49.09 -27.83 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.677 HG23 ' CD2' ' A' ' 327' ' ' TYR . 1.2 t -60.48 -71.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' THR . . . . . 0.476 ' N ' ' CG1' ' A' ' 446' ' ' VAL . 4.3 t -40.66 -28.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 446' ' ' VAL . 1.2 mm-40 -77.24 -53.74 7.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' HIS . . . . . 0.703 ' CE1' ' CG2' ' A' ' 445' ' ' ILE . 33.9 m170 -43.83 -27.39 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' VAL . . . . . 0.734 ' O ' ' N ' ' A' ' 454' ' ' GLN . 11.4 t -80.83 -57.71 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 450' ' ' VAL . 0.4 OUTLIER -36.74 -29.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 450' ' ' VAL . 6.1 mt -82.22 -75.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.449 ' HA ' HG23 ' A' ' 456' ' ' ILE . 2.7 pp -58.91 -13.44 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . 0.734 ' N ' ' O ' ' A' ' 450' ' ' VAL . 0.2 OUTLIER -80.72 -51.34 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 53.2 t -70.97 -5.17 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.801 ' O ' ' N ' ' A' ' 460' ' ' GLU . 1.0 OUTLIER -105.04 -59.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . 0.624 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 13.0 pttt -49.32 -20.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.655 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -101.03 -39.44 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' THR . . . . . 0.507 ' O ' ' CG2' ' A' ' 459' ' ' THR . 2.2 m -132.3 48.34 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.801 ' N ' ' O ' ' A' ' 456' ' ' ILE . 3.1 mm-40 -42.89 167.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.3 OUTLIER -67.5 -23.16 65.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.9 OUTLIER 171.66 59.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' MET . . . . . 0.447 ' HB3' ' O ' ' A' ' 462' ' ' ASP . 0.0 OUTLIER 65.2 118.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 464' ' ' SER . 0.0 OUTLIER 171.47 92.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.566 ' HA ' ' CE1' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -174.57 -145.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . 0.972 ' CG ' ' HD2' ' A' ' 467' ' ' PRO . 3.0 t-80 -117.18 156.71 48.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.619 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . 0.972 ' HD2' ' CG ' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.98 129.72 12.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' A' ' 469' ' ' LEU . 0.2 OUTLIER 83.22 4.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . 0.533 ' O ' ' CG ' ' A' ' 470' ' ' GLN . 0.8 OUTLIER 80.32 69.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.733 ' HA ' ' CG ' ' A' ' 466' ' ' HIS . 12.9 pt20 47.31 52.06 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' GLU . . . . . 0.54 ' H ' ' CE1' ' A' ' 466' ' ' HIS . 38.4 mt-10 61.42 32.67 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . 0.509 ' O ' ' C ' ' A' ' 473' ' ' TYR . 0.3 OUTLIER 67.42 82.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' TYR . . . . . 0.621 ' O ' ' NZ ' ' A' ' 319' ' ' LYS . 53.3 t80 28.6 42.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . 0.564 ' O ' ' C ' ' A' ' 475' ' ' ASP . 0.2 OUTLIER -35.31 -88.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' ASP . . . . . 0.564 ' C ' ' O ' ' A' ' 474' ' ' LYS . 6.4 t0 26.63 66.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.509 ' C ' ' CG2' ' A' ' 293' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' A' ' 208' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' SER . . . . . 0.678 ' O ' ' C ' ' A' ' 209' ' ' ALA . 4.5 m -26.33 -70.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.972 ' O ' ' CB ' ' A' ' 213' ' ' ALA . . . 11.82 -117.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 214' ' ' LEU . 48.3 m-20 -88.99 -12.05 42.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.619 ' CD2' ' CD1' ' A' ' 419' ' ' LEU . 0.2 OUTLIER -43.89 -83.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . 0.446 ' N ' HD13 ' A' ' 211' ' ' LEU . 0.2 OUTLIER -91.17 -9.48 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . 0.972 ' CB ' ' O ' ' A' ' 209' ' ' ALA . . . -76.63 -59.92 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . 0.527 ' HG ' ' CD2' ' A' ' 218' ' ' LEU . 2.9 tp -57.48 -51.54 69.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -43.8 -63.42 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . 0.632 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -52.88 -27.02 16.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 220' ' ' ASP . 16.4 t60 -70.94 -72.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 109.588 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.674 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 0.3 OUTLIER -34.49 -53.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' TYR . . . . . 0.648 ' CE1' ' CD1' ' A' ' 223' ' ' ILE . 15.2 t80 -68.67 -35.66 77.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . 0.632 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 0.4 OUTLIER -59.66 -74.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' SER . . . . . 0.713 ' CB ' ' CB ' ' A' ' 302' ' ' SER . 33.0 p -52.31 -25.51 9.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 222' ' ' TYR . . . . . 0.736 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 30.0 t80 -73.29 -55.57 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.648 ' CD1' ' CE1' ' A' ' 219' ' ' TYR . 0.9 OUTLIER -48.88 -12.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.5 OUTLIER -93.21 -45.36 7.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 225' ' ' SER . . . . . 0.743 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 47.7 t -39.48 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 226' ' ' PHE . . . . . 0.68 ' CD1' ' OE1' ' A' ' 295' ' ' GLU . 1.3 t80 -141.2 144.82 36.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 227' ' ' PRO . . . . . 0.652 ' HD2' ' CD1' ' A' ' 226' ' ' PHE . 18.3 Cg_endo -74.96 -40.27 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.532 1.806 . . . . 0.0 111.041 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.484 ' CD1' ' HG ' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -60.83 115.48 3.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 229' ' ' THR . . . . . 0.457 ' OG1' ' HG3' ' A' ' 232' ' ' LYS . 44.3 p -135.38 -161.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -83.04 -27.79 30.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 235' ' ' ALA . . . -78.63 -40.51 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 232' ' ' LYS . . . . . 0.457 ' HG3' ' OG1' ' A' ' 229' ' ' THR . 1.5 mttm -75.53 -41.36 55.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 233' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 237' ' ' LEU . . . -66.13 -51.08 61.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . 0.908 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -74.7 -5.09 41.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . 0.906 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -73.57 -67.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 245' ' ' SER . 0.0 OUTLIER -63.36 -35.08 70.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 237' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 233' ' ' ALA . 0.2 OUTLIER -59.67 -34.77 73.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 238' ' ' THR . . . . . 0.769 ' O ' ' N ' ' A' ' 240' ' ' LYS . 0.7 OUTLIER -149.78 -41.52 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . 0.906 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -15.07 -46.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 240' ' ' LYS . . . . . 0.769 ' N ' ' O ' ' A' ' 238' ' ' THR . 0.0 OUTLIER 148.19 -92.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 0.761 . . . . 0.0 109.267 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 241' ' ' THR . . . . . 0.579 ' CG2' ' O ' ' A' ' 240' ' ' LYS . 6.7 t 49.67 51.2 16.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.572 ' CG2' ' N ' ' A' ' 243' ' ' ASP . 0.4 OUTLIER 68.71 -64.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 243' ' ' ASP . . . . . 0.693 ' O ' ' C ' ' A' ' 244' ' ' LYS . 47.9 p-10 -135.36 67.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 244' ' ' LYS . . . . . 0.693 ' C ' ' O ' ' A' ' 243' ' ' ASP . 0.0 OUTLIER -7.31 104.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 245' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 236' ' ' ILE . 3.4 m -179.76 105.4 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . 0.83 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo -74.99 133.39 16.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 247' ' ' PHE . . . . . 0.774 ' O ' ' CG ' ' A' ' 247' ' ' PHE . 0.5 OUTLIER -16.0 72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.83 ' N ' ' O ' ' A' ' 246' ' ' PRO . 13.1 p -57.68 138.48 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 249' ' ' ILE . . . . . 0.533 ' CG2' ' CD1' ' A' ' 341' ' ' ILE . 0.9 OUTLIER -132.95 105.2 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 250' ' ' TYR . . . . . 0.652 ' O ' ' CG ' ' A' ' 250' ' ' TYR . 0.0 OUTLIER -158.17 16.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 255' ' ' LEU . 0.7 OUTLIER -128.45 179.2 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 252' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 253' ' ' ASN . 2.4 tmm? -54.08 -67.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 252' ' ' MET . 1.9 m120 -39.07 -66.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 254' ' ' SER . . . . . 0.443 ' HG ' ' N ' ' A' ' 250' ' ' TYR . 91.4 p -53.55 -53.73 47.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 255' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 251' ' ' ASP . 2.0 tt -45.65 -54.04 8.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 256' ' ' MET . . . . . 0.56 ' O ' ' CB ' ' A' ' 260' ' ' ASP . 22.0 ttt -53.29 -67.92 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 257' ' ' MET . . . . . 0.837 ' O ' ' HB3' ' A' ' 261' ' ' LYS . 0.0 OUTLIER -57.97 -7.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 258' ' ' GLY . . . . . 0.496 ' HA2' ' CD ' ' A' ' 261' ' ' LYS . . . -88.3 -83.68 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 0.2 OUTLIER -55.49 -15.93 3.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 110.268 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 256' ' ' MET . 45.7 t0 -85.46 -44.73 12.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 261' ' ' LYS . . . . . 0.837 ' HB3' ' O ' ' A' ' 257' ' ' MET . 0.0 OUTLIER -48.49 -35.28 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.492 ' N ' ' HG2' ' A' ' 261' ' ' LYS . 2.8 tt -78.9 -36.93 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -81.47 -82.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 264' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 264' ' ' PHE . 31.4 t80 42.04 34.7 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.22 143.66 46.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -88.31 156.02 19.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 10.7 mm 63.21 128.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 268' ' ' THR . . . . . 0.566 ' CG2' ' HD2' ' A' ' 269' ' ' PRO . 1.0 OUTLIER -137.55 152.77 73.54 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . 0.566 ' HD2' ' CG2' ' A' ' 268' ' ' THR . 18.4 Cg_endo -75.01 43.27 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.773 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.554 ' HG ' ' CG2' ' A' ' 268' ' ' THR . 0.2 OUTLIER -78.08 -101.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 271' ' ' GLN . . . . . 0.508 ' C ' ' O ' ' A' ' 270' ' ' LEU . 9.3 pt20 30.35 89.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 271' ' ' GLN . 0.4 OUTLIER 86.46 -54.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 273' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -98.32 65.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 78.8 p -64.54 157.01 27.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . 0.439 ' CB ' HG23 ' A' ' 279' ' ' ILE . 0.1 OUTLIER -87.25 115.4 24.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 276' ' ' GLU . . . . . 0.608 ' OE1' ' NE ' ' A' ' 357' ' ' ARG . 0.0 OUTLIER -71.32 146.97 48.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 277' ' ' VAL . . . . . 0.495 ' CG2' ' HB3' ' A' ' 356' ' ' LEU . 6.1 p -34.94 -43.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . 0.733 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -59.05 -71.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 0.48 ' C ' ' O ' ' A' ' 278' ' ' ALA . 0.4 OUTLIER -34.11 -33.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . 0.557 ' CZ ' ' OE1' ' A' ' 259' ' ' GLU . 0.0 OUTLIER -76.21 -54.03 7.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 281' ' ' ILE . . . . . 0.697 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.6 OUTLIER -76.76 -42.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 282' ' ' PHE . . . . . 0.733 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.7 OUTLIER -54.33 -45.82 72.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 283' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 14.0 pt20 -68.77 -34.64 75.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 284' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -82.95 -59.22 2.22 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 285' ' ' CYS . . . . . 0.697 ' N ' ' O ' ' A' ' 281' ' ' ILE . 8.1 p -53.22 -16.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 286' ' ' GLN . . . . . 0.53 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 24.2 tt0 -104.6 -25.26 12.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 287' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 283' ' ' GLN . 26.6 t80 -53.01 -32.06 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -21.48 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 31.1 t -84.76 -56.58 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 290' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.8 m -47.41 -28.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . 0.586 ' O ' ' N ' ' A' ' 294' ' ' GLN . 28.1 mt-10 -77.2 -60.86 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . 0.612 ' CB ' HG12 ' A' ' 326' ' ' ILE . . . -36.4 -53.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . 0.445 ' HA ' ' CG2' ' A' ' 322' ' ' VAL . 23.4 t -42.75 -40.35 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.586 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.9 mt-30 -77.3 -26.7 52.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 295' ' ' GLU . . . . . 0.68 ' OE1' ' CD1' ' A' ' 226' ' ' PHE . 8.3 mt-10 -78.68 -47.45 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . 0.678 ' O ' ' N ' ' A' ' 300' ' ' ALA . 1.6 mp -51.35 -63.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 297' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 299' ' ' TYR . 0.9 OUTLIER -39.64 -62.53 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 0.41 ' N ' HG23 ' A' ' 297' ' ' THR . 0.1 OUTLIER -42.77 -26.6 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 299' ' ' TYR . . . . . 0.743 ' HB2' ' HB2' ' A' ' 225' ' ' SER . 0.8 OUTLIER -104.84 -34.38 8.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.724 ' C ' ' H ' ' A' ' 302' ' ' SER . . . -59.04 -54.62 45.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -53.75 1.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 302' ' ' SER . . . . . 0.724 ' H ' ' C ' ' A' ' 300' ' ' ALA . 18.2 p -74.5 -38.96 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 303' ' ' ILE . . . . . 0.524 ' CG2' ' CD2' ' A' ' 413' ' ' LEU . 0.7 OUTLIER -64.31 126.56 90.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 46.96 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . 0.562 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -162.52 -28.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.798 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 1.3 t80 -56.84 -60.69 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.749 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -23.21 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -71.82 -15.44 62.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.798 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.2 mt -68.88 -109.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 310' ' ' ASP . . . . . 0.613 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 7.2 t70 -141.88 153.28 44.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -47.09 79.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . 0.551 ' HB2' ' CD1' ' A' ' 401' ' ' LEU . 58.3 m-80 -79.87 -59.3 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' ASP . . . . . 0.613 ' CB ' ' HB3' ' A' ' 310' ' ' ASP . 22.9 t0 -35.84 -52.01 0.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 314' ' ' GLN . . . . . 0.594 ' O ' ' CD1' ' A' ' 317' ' ' LEU . 32.1 mt-30 -57.83 -50.68 72.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 315' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 312' ' ' ASN . 26.3 t -63.15 -47.45 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' A' ' 399' ' ' GLY . 1.6 m -47.52 -63.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 317' ' ' LEU . . . . . 0.708 ' O ' ' N ' ' A' ' 321' ' ' GLY . 1.0 OUTLIER -46.78 -46.71 20.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 318' ' ' LEU . . . . . 0.497 ' CD2' ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -64.29 -46.34 84.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 315' ' ' VAL . 4.8 tptt -40.28 -43.33 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 320' ' ' TYR . . . . . 0.57 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 2.5 m-85 -116.38 3.61 13.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 321' ' ' GLY . . . . . 0.708 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -102.06 -54.05 0.93 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . 0.57 ' O ' HG13 ' A' ' 326' ' ' ILE . 1.5 p -41.3 -25.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . 0.608 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 26.3 m170 -71.52 -45.95 61.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 324' ' ' GLU . . . . . 0.783 ' O ' ' HB ' ' A' ' 328' ' ' THR . 5.0 mt-10 -73.7 5.25 4.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 325' ' ' ILE . . . . . 0.622 ' CD1' ' CG2' ' A' ' 391' ' ' ILE . 1.1 mp -110.62 -47.36 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' ILE . . . . . 0.612 HG12 ' CB ' ' A' ' 292' ' ' ALA . 3.2 mt -77.01 -39.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.705 ' CD2' HG22 ' A' ' 446' ' ' VAL . 21.5 m-30 -76.73 -22.74 53.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' THR . . . . . 0.821 HG21 ' CE1' ' A' ' 387' ' ' PHE . 0.6 OUTLIER -72.43 -60.2 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' MET . . . . . 0.635 ' N ' ' CG2' ' A' ' 328' ' ' THR . 19.9 ptt? -73.96 -19.83 60.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.572 ' CG ' ' O ' ' A' ' 326' ' ' ILE . 1.8 mt -49.94 -45.83 51.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' ALA . . . . . 0.574 ' CB ' ' CB ' ' A' ' 371' ' ' ALA . . . -44.3 -54.41 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' SER . . . . . 0.908 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 56.8 m -58.27 -21.49 48.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.017 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . 0.606 ' CD1' ' N ' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -94.65 17.51 13.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' MET . . . . . 0.682 ' HG3' ' HA ' ' A' ' 368' ' ' PHE . 5.8 mmt -99.79 178.02 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' ASN . . . . . 0.627 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.8 t-20 -145.67 169.67 18.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' LYS . . . . . 0.755 ' O ' ' CZ ' ' A' ' 368' ' ' PHE . 0.0 OUTLIER -49.94 -46.8 52.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' ASP . . . . . 0.547 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 0.5 OUTLIER -140.59 39.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . 0.726 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -169.93 -169.43 33.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . 0.629 ' O ' HG21 ' A' ' 341' ' ' ILE . 0.1 OUTLIER -153.13 128.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.559 ' C ' HG21 ' A' ' 341' ' ' ILE . 3.5 mm? -39.2 159.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' ILE . . . . . 0.792 HG21 ' HA ' ' A' ' 347' ' ' PHE . 1.4 pt -156.37 143.97 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 341' ' ' ILE . 10.3 m -61.42 -131.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.608 ' C ' ' H ' ' A' ' 345' ' ' GLN . 6.9 tp10 47.1 -123.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -69.07 27.6 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' GLN . . . . . 0.608 ' H ' ' C ' ' A' ' 343' ' ' GLU . 0.8 OUTLIER 38.73 81.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 0.0 110.339 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . 0.672 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . -141.36 -132.07 2.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.792 ' HA ' HG21 ' A' ' 341' ' ' ILE . 0.3 OUTLIER -168.91 133.55 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.635 ' SD ' ' CD2' ' A' ' 352' ' ' PHE . 9.0 mmm -88.05 115.75 25.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' THR . . . . . 0.726 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.0 p -61.97 150.49 37.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . 0.722 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 2.1 ttm180 -64.23 -51.68 62.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 355' ' ' SER . 0.0 OUTLIER -45.53 -18.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' PHE . . . . . 0.635 ' CD2' ' SD ' ' A' ' 348' ' ' MET . 0.9 OUTLIER -90.12 -62.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' LEU . . . . . 0.594 ' O ' HD21 ' A' ' 356' ' ' LEU . 0.2 OUTLIER -55.06 -52.77 62.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' LYS . . . . . 0.687 ' HG3' ' HA ' ' A' ' 362' ' ' ASP . 0.2 OUTLIER -61.88 -34.49 76.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' SER . . . . . 0.508 ' C ' ' HG ' ' A' ' 356' ' ' LEU . 0.6 OUTLIER -54.01 75.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' LEU . . . . . 0.667 ' N ' ' O ' ' A' ' 354' ' ' LYS . 0.2 OUTLIER 174.27 -166.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 357' ' ' ARG . . . . . 0.608 ' NE ' ' OE1' ' A' ' 276' ' ' GLU . 2.4 mtt180 -26.58 124.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' LYS . . . . . 0.788 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.67 -52.73 1.42 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.788 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.0 -71.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.56 1.821 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' PHE . . . . . 0.712 ' CZ ' ' CD2' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -46.86 -13.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 357' ' ' ARG . . . -107.61 51.05 0.75 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 362' ' ' ASP . . . . . 0.687 ' HA ' ' HG3' ' A' ' 354' ' ' LYS . 1.0 OUTLIER 169.51 61.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 109.245 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 363' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 364' ' ' MET . 0.1 OUTLIER -121.78 -8.73 8.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 364' ' ' MET . . . . . 0.537 ' HB2' ' CE1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -125.52 0.18 7.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . 0.722 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 9.0 tp10 -68.0 -37.84 12.53 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . 0.719 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.99 -25.97 11.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 367' ' ' LYS . . . . . 0.594 ' CB ' ' CE ' ' A' ' 334' ' ' MET . 20.3 mtmm -72.28 -48.48 42.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 368' ' ' PHE . . . . . 0.755 ' CZ ' ' O ' ' A' ' 336' ' ' LYS . 0.0 OUTLIER -69.82 -39.67 76.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -58.24 -46.94 85.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 370' ' ' PHE . . . . . 0.654 ' CD1' ' HB2' ' A' ' 441' ' ' ASP . 0.6 OUTLIER -73.63 -33.01 64.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . 0.574 ' CB ' ' CB ' ' A' ' 331' ' ' ALA . . . -55.93 -47.99 76.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 4.7 t -61.18 -14.37 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -102.89 -25.68 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 374' ' ' PHE . . . . . 0.624 ' CZ ' ' HG3' ' A' ' 438' ' ' LYS . 0.3 OUTLIER -90.58 -35.56 14.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . 0.47 ' OD1' ' NE ' ' A' ' 234' ' ' ARG . 2.3 m-80 -55.8 -11.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -86.0 28.7 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 0.8 OUTLIER -160.68 3.68 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . 0.433 ' OE1' ' OG ' ' A' ' 332' ' ' SER . 0.2 OUTLIER -81.91 128.31 33.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . 0.59 HD11 ' CD2' ' A' ' 425' ' ' HIS . 0.4 OUTLIER -83.5 -107.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . 0.591 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 52.3 p30 -131.11 142.07 50.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 385' ' ' ALA . 10.4 m-20 -35.75 -29.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 382' ' ' SER . . . . . 0.618 ' HA ' ' CD1' ' A' ' 219' ' ' TYR . 62.1 m -57.29 -67.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . 0.538 ' OD1' ' NE2' ' A' ' 420' ' ' GLN . 1.7 m-20 -58.26 -31.7 67.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . 0.674 ' O ' ' CD2' ' A' ' 387' ' ' PHE . 9.4 mt -71.23 -58.52 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . 0.651 ' HB2' ' CD2' ' A' ' 222' ' ' TYR . . . -33.91 -38.59 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.471 ' O ' ' C ' ' A' ' 387' ' ' PHE . 2.6 mt -64.37 -59.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . 0.945 ' CD1' ' N ' ' A' ' 388' ' ' ILE . 0.1 OUTLIER -31.22 -47.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 388' ' ' ILE . . . . . 0.945 ' N ' ' CD1' ' A' ' 387' ' ' PHE . 0.2 OUTLIER -39.52 -66.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . 0.677 ' HA ' ' CG1' ' A' ' 392' ' ' ILE . . . -56.33 -27.79 56.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . 0.527 ' O ' ' CG1' ' A' ' 390' ' ' VAL . 1.2 t -82.16 3.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.622 ' CG2' ' CD1' ' A' ' 325' ' ' ILE . 21.0 mm -113.57 -19.97 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' ILE . . . . . 0.694 ' C ' ' H ' ' A' ' 394' ' ' SER . 2.6 pt -93.32 -48.44 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . 0.763 ' CB ' ' HG3' ' A' ' 410' ' ' GLN . 1.3 mm? -64.06 15.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' SER . . . . . 0.694 ' H ' ' C ' ' A' ' 392' ' ' ILE . 10.2 m -86.51 106.84 17.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' GLY . . . . . 0.485 ' HA2' ' CD1' ' A' ' 400' ' ' LEU . . . -81.26 66.71 3.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' ASP . . . . . 0.408 ' OD2' ' NH2' ' A' ' 443' ' ' ARG . 7.5 t0 -114.14 -18.0 11.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' ARG . . . . . 0.583 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -64.14 128.23 92.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 5.44 3.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . 0.525 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . -126.45 34.97 3.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.583 ' HG ' ' CB ' ' A' ' 397' ' ' ARG . 21.7 mt -91.95 163.16 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.551 ' CD1' ' HB2' ' A' ' 312' ' ' ASN . 17.5 mt -110.77 -59.77 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . 0.775 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 1.7 m120 -109.95 85.11 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' VAL . . . . . 0.518 ' HA ' ' CD1' ' A' ' 406' ' ' ILE . 1.0 OUTLIER -78.96 -15.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.618 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -69.15 -49.5 24.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . 0.775 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.05 -26.9 10.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 402' ' ' ASN . 56.7 mt -60.3 -81.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -51.17 -21.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . 0.618 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 9.0 m-20 -72.03 -53.8 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' ILE . . . . . 0.679 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 15.7 mm -58.7 -21.67 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . 0.763 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -73.48 -40.29 64.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.08 -24.58 1.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.83 -57.74 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 409' ' ' ILE . 0.2 OUTLIER -51.92 -30.03 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.404 HD21 ' CD2' ' A' ' 432' ' ' PHE . 0.1 OUTLIER -70.81 -47.46 59.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.556 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 45.7 mt-30 -47.49 -57.57 5.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.62 ' HA ' ' HB3' ' A' ' 419' ' ' LEU . . . -56.95 -47.14 81.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . 0.697 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -44.21 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' GLU . . . . . 0.584 ' HB2' ' CD1' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -54.69 -23.15 16.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.62 ' HB3' ' HA ' ' A' ' 416' ' ' ALA . 0.2 OUTLIER -66.55 -82.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' GLN . . . . . 0.637 ' NE2' ' ND2' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -55.4 -10.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.533 ' HG ' ' CE1' ' A' ' 425' ' ' HIS . 0.7 OUTLIER -88.68 -50.82 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . 0.611 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 14.5 mtpt -72.08 -3.28 22.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.436 ' CD1' ' HG ' ' A' ' 419' ' ' LEU . 14.9 mt -102.21 -48.08 4.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.637 ' ND2' ' NE2' ' A' ' 420' ' ' GLN . 72.4 m-20 -73.41 -8.69 56.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.59 ' CD2' HD11 ' A' ' 379' ' ' LEU . 0.0 OUTLIER -166.0 69.38 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.617 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.611 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.98 102.89 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 428' ' ' SER . 3.9 tm-20 -172.52 134.08 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 427' ' ' GLU . 2.7 t 87.37 -152.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' SER . . . . . 0.468 ' C ' ' CG ' ' A' ' 430' ' ' GLN . 8.6 p -148.98 142.09 24.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' GLN . . . . . 0.468 ' CG ' ' C ' ' A' ' 429' ' ' SER . 0.0 OUTLIER 49.07 25.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 27.3 tp -39.94 -29.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' PHE . . . . . 0.594 ' HB2' ' CD1' ' A' ' 417' ' ' LEU . 37.0 p90 -85.5 -46.94 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' ALA . . . . . 0.57 ' N ' ' CG ' ' A' ' 432' ' ' PHE . . . -39.49 -27.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.53 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.0 OUTLIER -97.09 -46.86 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 438' ' ' LYS . 0.4 OUTLIER -45.37 -35.07 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' A' ' 438' ' ' LYS . 3.6 pp -76.05 -46.04 31.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' GLN . . . . . 0.538 ' C ' ' HG3' ' A' ' 439' ' ' MET . 1.9 mm-40 -47.75 -12.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.624 ' HG3' ' CZ ' ' A' ' 374' ' ' PHE . 0.0 OUTLIER -49.77 -23.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' MET . . . . . 0.55 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.02 -43.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.694 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 53.7 p -34.14 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.654 ' HB2' ' CD1' ' A' ' 370' ' ' PHE . 0.0 OUTLIER -41.59 -25.23 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.602 ' O ' HG23 ' A' ' 446' ' ' VAL . 2.5 mm? -77.63 -87.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' A' ' 439' ' ' MET . 21.0 ttm180 -50.26 -22.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.694 ' HB2' ' O ' ' A' ' 440' ' ' THR . 0.0 OUTLIER -78.97 -75.54 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.616 HD12 ' CD2' ' A' ' 370' ' ' PHE . 9.2 mt -54.02 -34.4 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.705 HG22 ' CD2' ' A' ' 327' ' ' TYR . 52.7 t -61.64 -63.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 444' ' ' GLN . 13.3 t -45.9 -27.15 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 451' ' ' GLN . 40.9 tt0 -73.83 -57.14 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' HIS . . . . . 0.439 ' NE2' ' OH ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -42.15 -31.85 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' VAL . . . . . 0.627 ' O ' ' N ' ' A' ' 454' ' ' GLN . 69.3 t -80.67 -44.2 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 448' ' ' GLU . 0.1 OUTLIER -48.52 -23.16 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.74 -67.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' A' ' 457' ' ' LYS . 0.2 OUTLIER -61.14 -18.09 56.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . 0.627 ' N ' ' O ' ' A' ' 450' ' ' VAL . 2.5 tt0 -81.46 -49.36 10.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 451' ' ' GLN . 71.1 t -71.82 -4.89 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.86 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.1 OUTLIER -104.65 -61.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . 0.65 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 2.1 ptpp? -41.36 -29.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 1.0 OUTLIER -94.24 -39.28 10.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -127.22 46.58 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.377 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.86 ' N ' ' O ' ' A' ' 456' ' ' ILE . 3.7 mm-40 -42.87 169.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -71.35 -28.5 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.435 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' ASP . . . . . 0.496 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.6 OUTLIER 169.13 49.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' MET . . . . . 0.404 ' HB3' ' O ' ' A' ' 462' ' ' ASP . 4.8 ttt 62.96 128.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.459 ' OG ' ' NH2' ' A' ' 357' ' ' ARG . 29.6 p -179.4 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.507 ' CD2' ' C ' ' A' ' 465' ' ' LEU . 0.0 OUTLIER 174.16 168.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . 1.084 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 15.3 p80 -117.76 -170.58 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . 1.084 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.95 -45.76 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.81 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.514 ' O ' ' CG1' ' A' ' 472' ' ' ILE . 1.1 mt -43.6 -20.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . 0.718 ' CD2' ' CE1' ' A' ' 466' ' ' HIS . 12.0 mt -92.89 -55.25 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -47.07 -29.57 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -75.79 -53.16 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . 0.514 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.1 mm -45.66 -58.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 473' ' ' TYR . 0.3 OUTLIER -54.85 -50.79 67.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . 0.409 ' O ' ' NZ ' ' A' ' 319' ' ' LYS . 0.0 OUTLIER -55.32 175.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.97 161.81 18.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.72 ' O ' ' HB2' ' A' ' 211' ' ' LEU . 3.4 tp10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' SER . . . . . 0.751 ' HA ' ' HB2' ' A' ' 211' ' ' LEU . 4.7 m -84.89 -54.13 4.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 1.005 ' O ' ' HB3' ' A' ' 213' ' ' ALA . . . -39.02 -50.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' ASP . . . . . 0.689 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 0.0 OUTLIER -82.99 -26.03 31.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.751 ' HB2' ' HA ' ' A' ' 208' ' ' SER . 0.2 OUTLIER -36.32 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.94 -12.7 54.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . 1.005 ' HB3' ' O ' ' A' ' 209' ' ' ALA . . . -72.56 -67.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . 0.461 ' HG ' ' CD2' ' A' ' 218' ' ' LEU . 12.1 tp -53.52 -49.63 67.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -43.46 -67.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . 0.795 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -47.55 -31.97 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 220' ' ' ASP . 17.2 t60 -68.82 -70.34 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.612 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.685 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 3.8 mm? -36.82 -50.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' TYR . . . . . 0.612 ' CE1' ' CD1' ' A' ' 223' ' ' ILE . 93.5 t80 -75.47 -29.26 59.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . 0.795 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 4.7 t0 -58.36 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' SER . . . . . 0.725 ' CB ' ' HB2' ' A' ' 302' ' ' SER . 49.4 m -53.34 -27.45 23.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 222' ' ' TYR . . . . . 0.681 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 22.4 t80 -68.85 -53.56 20.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.612 ' CD1' ' CE1' ' A' ' 219' ' ' TYR . 1.0 OUTLIER -53.33 -11.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 220' ' ' ASP . 1.1 mptp? -92.27 -44.27 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 225' ' ' SER . . . . . 0.705 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 31.1 t -44.04 -71.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 226' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 295' ' ' GLU . 0.0 OUTLIER -130.42 140.41 38.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 227' ' ' PRO . . . . . 0.481 ' O ' ' CG2' ' A' ' 229' ' ' THR . 18.3 Cg_endo -75.01 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.524 1.802 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.441 ' CD1' HD13 ' A' ' 333' ' ' LEU . 0.0 OUTLIER -51.55 119.88 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 229' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 233' ' ' ALA . 64.7 p -131.62 -165.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . 0.51 ' CG ' ' HB3' ' A' ' 332' ' ' SER . 3.8 tmtt? -82.49 -27.09 32.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . 0.475 ' N ' ' OD1' ' A' ' 381' ' ' ASP . . . -80.18 -22.06 42.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 232' ' ' LYS . . . . . 0.437 ' HA ' ' HB3' ' A' ' 235' ' ' ALA . 4.3 mttp -99.95 -35.39 9.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 233' ' ' ALA . . . . . 0.629 ' O ' ' HB2' ' A' ' 237' ' ' LEU . . . -69.14 -49.14 59.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . 0.748 ' N ' ' HD2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -75.15 -20.76 59.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . 0.888 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -60.05 -67.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.513 ' CD1' ' HB3' ' A' ' 246' ' ' PRO . 0.4 OUTLIER -61.36 -38.83 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 237' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 233' ' ' ALA . 0.3 OUTLIER -53.73 -34.59 59.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 238' ' ' THR . . . . . 0.856 ' O ' ' N ' ' A' ' 240' ' ' LYS . 0.0 OUTLIER -158.4 -38.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . 0.888 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -7.48 -51.68 0.0 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 240' ' ' LYS . . . . . 0.856 ' N ' ' O ' ' A' ' 238' ' ' THR . 0.0 OUTLIER 148.49 -83.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 241' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 240' ' ' LYS . 13.9 t 52.41 -166.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.423 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 179.77 -33.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 243' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.56 25.33 7.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 244' ' ' LYS . . . . . 0.53 ' CG ' ' N ' ' A' ' 245' ' ' SER . 0.6 OUTLIER -130.99 -79.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 245' ' ' SER . . . . . 0.53 ' N ' ' CG ' ' A' ' 244' ' ' LYS . 23.2 p 61.23 149.55 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . 0.891 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.4 Cg_endo -74.99 108.03 2.62 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 247' ' ' PHE . . . . . 0.577 ' CB ' ' HA3' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -37.18 71.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.891 ' N ' ' O ' ' A' ' 246' ' ' PRO . 21.4 t -55.52 103.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 249' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 250' ' ' TYR . 1.2 mt -74.07 104.42 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 250' ' ' TYR . . . . . 0.83 ' O ' ' CG ' ' A' ' 250' ' ' TYR . 2.8 t80 158.72 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -155.28 -178.0 6.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 252' ' ' MET . . . . . 0.494 ' O ' ' CB ' ' A' ' 256' ' ' MET . 0.0 OUTLIER -52.84 -48.29 67.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.54 ' OD1' ' CZ ' ' A' ' 247' ' ' PHE . 27.1 t-20 -57.45 -66.14 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 254' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 258' ' ' GLY . 54.2 p -35.72 -65.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 255' ' ' LEU . . . . . 0.646 ' O ' ' C ' ' A' ' 256' ' ' MET . 1.4 mt -59.81 -81.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 256' ' ' MET . . . . . 0.675 ' HA ' ' HG3' ' A' ' 261' ' ' LYS . 17.5 ttt -5.39 -66.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 257' ' ' MET . . . . . 0.604 ' N ' ' O ' ' A' ' 255' ' ' LEU . 0.0 OUTLIER -89.02 -48.64 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.046 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 258' ' ' GLY . . . . . 0.753 ' O ' ' CB ' ' A' ' 259' ' ' GLU . . . -23.5 19.62 0.0 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.753 ' CB ' ' O ' ' A' ' 258' ' ' GLY . 31.3 mt-10 117.85 34.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 0.751 . . . . 0.0 110.262 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . 0.869 ' O ' ' HB2' ' A' ' 261' ' ' LYS . 0.0 OUTLIER 73.84 33.63 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 261' ' ' LYS . . . . . 0.869 ' HB2' ' O ' ' A' ' 260' ' ' ASP . 0.0 OUTLIER 95.35 42.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.54 ' O ' ' CD1' ' A' ' 262' ' ' ILE . 0.3 OUTLIER 60.69 21.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 262' ' ' ILE . 0.0 OUTLIER 88.05 59.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 264' ' ' PHE . . . . . 0.555 ' O ' ' C ' ' A' ' 265' ' ' LYS . 39.1 t80 -123.88 -75.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 264' ' ' PHE . 7.5 tttm 27.74 60.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 266' ' ' HIS . . . . . 0.508 ' O ' ' CZ ' ' A' ' 264' ' ' PHE . 1.4 m-70 165.69 161.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.551 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.412 ' CG2' ' O ' ' A' ' 267' ' ' ILE . 2.1 mp -131.6 78.36 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 268' ' ' THR . . . . . 0.62 HG23 ' N ' ' A' ' 269' ' ' PRO . 0.9 OUTLIER -143.06 155.01 62.28 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . 0.62 ' N ' HG23 ' A' ' 268' ' ' THR . 18.2 Cg_endo -74.97 47.89 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.595 ' HG ' ' CG2' ' A' ' 268' ' ' THR . 0.0 OUTLIER -81.24 -172.4 3.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 271' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 270' ' ' LEU . 0.0 OUTLIER 159.24 85.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.44 87.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 273' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 274' ' ' SER . 15.1 mm-40 -40.03 157.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 274' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 273' ' ' GLN . 0.9 OUTLIER 84.51 -57.73 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -94.94 113.66 25.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 276' ' ' GLU . . . . . 0.698 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 0.3 OUTLIER -112.43 -179.65 3.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 277' ' ' VAL . . . . . 0.57 ' CG1' ' HB3' ' A' ' 356' ' ' LEU . 2.4 p -56.47 -15.29 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . 0.73 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -83.56 -68.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 464' ' ' SER . 0.4 OUTLIER -37.63 -31.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . 0.528 ' CZ ' ' OE1' ' A' ' 259' ' ' GLU . 11.0 tpt180 -76.97 -55.15 5.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 281' ' ' ILE . . . . . 0.563 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.5 OUTLIER -75.51 -43.43 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 282' ' ' PHE . . . . . 0.739 ' CE1' ' CE1' ' A' ' 360' ' ' PHE . 79.6 t80 -53.01 -46.58 68.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 283' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 280' ' ' ARG . 6.4 pt20 -66.94 -34.56 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 284' ' ' GLY . . . . . 0.459 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -81.1 -58.82 2.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 285' ' ' CYS . . . . . 0.563 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.5 OUTLIER -53.7 -15.96 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 286' ' ' GLN . . . . . 0.459 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -105.97 -24.44 12.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 287' ' ' PHE . . . . . 0.482 ' CE2' ' OE1' ' A' ' 291' ' ' GLU . 24.5 t80 -53.65 -32.48 51.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -19.0 61.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 23.9 t -86.88 -55.08 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.005 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 290' ' ' VAL . . . . . . . . . . . . . 2.7 m -49.91 -29.42 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 294' ' ' GLN . 45.1 mt-10 -78.58 -59.67 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . 0.627 ' CB ' HG12 ' A' ' 326' ' ' ILE . . . -34.44 -56.24 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . 0.483 ' HA ' ' CG2' ' A' ' 322' ' ' VAL . 54.2 t -39.91 -46.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.6 mt-30 -73.85 -27.32 61.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.237 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 295' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.4 mt-10 -75.73 -50.81 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 300' ' ' ALA . 3.3 mp -44.84 -62.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 297' ' ' THR . . . . . 0.419 ' C ' ' N ' ' A' ' 299' ' ' TYR . 0.9 OUTLIER -40.23 -61.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.31 -28.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 299' ' ' TYR . . . . . 0.783 ' O ' ' CB ' ' A' ' 302' ' ' SER . 0.8 OUTLIER -103.13 -44.28 5.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.748 ' C ' ' H ' ' A' ' 302' ' ' SER . . . -46.11 -55.48 6.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -53.42 2.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 302' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 299' ' ' TYR . 16.9 t -74.18 -40.14 62.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.017 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 303' ' ' ILE . . . . . 0.558 ' CG2' ' CD2' ' A' ' 413' ' ' LEU . 1.3 mt -59.99 128.78 87.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 45.62 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . 0.54 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -165.45 -27.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.78 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 55.2 t80 -54.46 -60.1 3.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -22.53 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -75.45 -14.35 60.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.4 mt -68.84 -109.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 310' ' ' ASP . . . . . 0.613 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 7.6 t70 -145.01 152.21 39.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.97 -47.7 74.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . 0.544 ' HB2' ' CD1' ' A' ' 401' ' ' LEU . 62.5 m-80 -78.56 -57.89 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 313' ' ' ASP . . . . . 0.613 ' CB ' ' HB3' ' A' ' 310' ' ' ASP . 24.1 t0 -38.37 -53.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 314' ' ' GLN . . . . . 0.576 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 23.1 mt-30 -53.98 -49.72 68.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.72 -49.21 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.577 ' CG2' ' O ' ' A' ' 399' ' ' GLY . 1.2 m -43.08 -65.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 317' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -45.19 -52.34 9.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 318' ' ' LEU . . . . . 0.503 ' CD2' ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -56.92 -49.31 75.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -39.68 -42.92 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 320' ' ' TYR . . . . . 0.512 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 6.4 m-85 -113.89 5.97 16.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 321' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -109.35 -52.02 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 326' ' ' ILE . 1.5 p -41.2 -27.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . 0.552 ' O ' ' CD1' ' A' ' 327' ' ' TYR . 61.9 m170 -71.73 -45.76 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 324' ' ' GLU . . . . . 0.74 ' O ' ' HB ' ' A' ' 328' ' ' THR . 4.1 mt-10 -74.12 2.97 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 325' ' ' ILE . . . . . 0.659 ' O ' HG21 ' A' ' 328' ' ' THR . 0.8 OUTLIER -105.62 -49.03 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' ILE . . . . . 0.627 HG12 ' CB ' ' A' ' 292' ' ' ALA . 1.6 mt -72.13 -36.8 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.639 ' CD2' ' CG2' ' A' ' 446' ' ' VAL . 5.7 m-85 -75.83 -29.2 58.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' THR . . . . . 0.74 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 0.7 OUTLIER -62.29 -58.87 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' MET . . . . . 0.612 ' N ' ' CG2' ' A' ' 328' ' ' THR . 25.7 ptm -79.92 -19.33 48.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.602 ' HB2' ' HA ' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -43.92 -46.81 8.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' ALA . . . . . 0.716 ' O ' ' HB2' ' A' ' 334' ' ' MET . . . -48.38 -48.96 36.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' SER . . . . . 0.737 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 0.9 OUTLIER -59.08 -14.66 10.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . 0.552 ' CD1' ' HB1' ' A' ' 233' ' ' ALA . 2.3 mm? -100.11 18.35 18.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' MET . . . . . 0.716 ' HB2' ' O ' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -93.41 -172.88 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' ASN . . . . . 0.773 ' O ' ' CE1' ' A' ' 368' ' ' PHE . 8.8 t-20 -158.76 169.55 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' LYS . . . . . 0.571 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -55.81 -53.74 53.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 1.6 m-20 -130.68 37.7 3.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . 0.777 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -171.25 -161.69 22.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . 0.664 ' O ' HG21 ' A' ' 341' ' ' ILE . 25.8 m -157.0 125.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.779 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 333' ' ' LEU . 2.2 mm? -36.36 157.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' ILE . . . . . 0.696 HG21 ' HA ' ' A' ' 347' ' ' PHE . 0.7 OUTLIER -156.84 153.47 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 35.0 m -72.43 -39.84 67.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 345' ' ' GLN . 5.5 mm-40 -43.34 121.5 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' A' ' 247' ' ' PHE . . . 41.45 25.36 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 343' ' ' GLU . 67.6 mt-30 43.8 83.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . 0.577 ' HA3' ' CB ' ' A' ' 247' ' ' PHE . . . -152.61 -127.4 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.696 ' HA ' HG21 ' A' ' 341' ' ' ILE . 0.1 OUTLIER -169.61 134.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 0.755 . . . . 0.0 110.968 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 0.523 ' H ' ' CG2' ' A' ' 341' ' ' ILE . 30.1 ttm -90.85 121.19 32.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' THR . . . . . 0.777 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.7 p -64.84 146.37 54.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . 0.703 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 10.6 ttm180 -53.33 -51.67 61.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' GLU . . . . . 0.559 ' O ' ' CB ' ' A' ' 355' ' ' SER . 1.8 pt-20 -53.25 -14.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' PHE . . . . . 0.492 ' HB2' ' OG1' ' A' ' 349' ' ' THR . 7.0 t80 -91.48 -66.96 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 356' ' ' LEU . 0.3 OUTLIER -49.9 -54.25 20.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' LYS . . . . . 0.726 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.3 OUTLIER -61.04 -38.9 87.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 0.3 OUTLIER -50.24 75.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' LEU . . . . . 0.726 ' N ' ' O ' ' A' ' 354' ' ' LYS . 0.3 OUTLIER 176.14 -169.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 357' ' ' ARG . . . . . 0.698 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.6 OUTLIER -18.74 124.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' LYS . . . . . 0.799 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.42 -58.22 0.82 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.799 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.4 Cg_endo -75.0 -67.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' PHE . . . . . 0.739 ' CE1' ' CE1' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -49.11 -9.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . 0.627 ' N ' ' O ' ' A' ' 357' ' ' ARG . . . -129.13 53.18 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 362' ' ' ASP . . . . . 0.545 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 14.3 t70 172.9 45.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 363' ' ' PHE . . . . . 0.728 ' CZ ' ' HB2' ' A' ' 452' ' ' LEU . 0.9 OUTLIER -138.88 16.99 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 364' ' ' MET . . . . . 0.839 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 2.4 mpp? -117.47 9.38 13.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . 0.92 ' N ' ' CD ' ' A' ' 366' ' ' PRO . 5.9 tp10 -78.82 -18.41 0.27 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . 0.92 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -75.03 -43.19 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.554 1.818 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 367' ' ' LYS . . . . . 0.452 ' HG3' ' CG2' ' A' ' 445' ' ' ILE . 0.7 OUTLIER -76.94 -37.52 55.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 368' ' ' PHE . . . . . 0.773 ' CE1' ' O ' ' A' ' 335' ' ' ASN . 1.7 t80 -59.17 -58.26 9.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 373' ' ' LYS . 1.0 OUTLIER -59.57 -57.86 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 370' ' ' PHE . . . . . 0.711 ' CE2' ' CB ' ' A' ' 331' ' ' ALA . 0.1 OUTLIER -36.8 -47.75 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . 0.56 ' CB ' ' CB ' ' A' ' 331' ' ' ALA . . . -66.26 -46.72 76.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 372' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 369' ' ' GLU . 54.3 t -56.47 -18.09 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 369' ' ' GLU . 0.0 OUTLIER -104.78 -23.38 13.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 374' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' A' ' 370' ' ' PHE . 0.8 OUTLIER -91.23 -39.69 11.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . 0.482 ' CG ' ' O ' ' A' ' 371' ' ' ALA . 15.3 m120 -52.12 -15.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -87.79 32.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 0.7 OUTLIER -175.09 4.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . 0.596 ' OE2' ' CB ' ' A' ' 332' ' ' SER . 2.1 mt-10 -69.65 128.15 35.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . 0.554 HD22 ' CD2' ' A' ' 425' ' ' HIS . 0.3 OUTLIER -82.91 -139.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . 0.583 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 33.8 p30 -106.51 144.34 33.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 231' ' ' ALA . 12.4 m-20 -35.99 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 382' ' ' SER . . . . . 0.565 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 4.9 m -58.27 -61.43 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . 0.496 ' OD2' ' HB3' ' A' ' 379' ' ' LEU . 17.6 m-20 -59.2 -28.5 66.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 3.8 mt -75.37 -57.63 3.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . 0.594 ' HB3' ' CD2' ' A' ' 222' ' ' TYR . . . -35.7 -47.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 382' ' ' SER . 8.9 mt -61.26 -60.2 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . 0.573 ' CZ ' HD12 ' A' ' 435' ' ' LEU . 3.4 t80 -33.75 -44.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 388' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 389' ' ' ALA . 0.4 OUTLIER -48.58 -64.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . 0.524 ' CB ' HD11 ' A' ' 413' ' ' LEU . . . -48.92 -45.29 41.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . 0.467 ' O ' ' CD ' ' A' ' 410' ' ' GLN . 1.0 OUTLIER -58.57 -25.6 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.649 HG22 ' C ' ' A' ' 324' ' ' GLU . 27.7 mt -87.62 -18.51 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' ILE . . . . . 0.484 HD12 ' CB ' ' A' ' 300' ' ' ALA . 60.5 mt -68.48 -76.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . 0.753 ' HB2' ' HG3' ' A' ' 410' ' ' GLN . 0.1 OUTLIER -62.95 92.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' SER . . . . . 0.624 ' O ' ' N ' ' A' ' 396' ' ' ASP . 5.0 m -126.46 87.77 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' GLY . . . . . . . . . . . . . . . -61.44 60.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 394' ' ' SER . 10.6 t70 -131.86 -23.08 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' ARG . . . . . 0.557 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -64.67 127.32 92.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 7.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . 0.577 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . -125.94 33.39 3.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.557 ' HG ' ' CB ' ' A' ' 397' ' ' ARG . 17.3 mt -95.22 156.65 16.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.544 ' CD1' ' HB2' ' A' ' 312' ' ' ASN . 20.3 mt -109.82 -58.25 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . 0.743 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 1.5 m120 -108.32 83.01 1.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' VAL . . . . . 0.493 ' CG2' HD12 ' A' ' 400' ' ' LEU . 1.0 OUTLIER -79.46 -15.91 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.732 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -68.72 -50.27 25.14 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . 0.743 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.03 -26.37 10.93 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . 0.673 HG13 ' O ' ' A' ' 402' ' ' ASN . 61.5 mt -59.93 -83.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -51.09 -23.05 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . 0.732 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 10.7 m-20 -73.49 -57.42 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' ILE . . . . . 0.717 ' CG2' HD12 ' A' ' 393' ' ' LEU . 33.2 mm -56.97 -18.25 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . 0.753 ' HG3' ' HB2' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -76.78 -41.1 45.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -45.91 -24.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.7 OUTLIER -85.96 -51.39 6.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.558 ' CD2' ' CG2' ' A' ' 303' ' ' ILE . 2.4 mt -55.75 -40.19 72.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.476 ' CD1' ' OE1' ' A' ' 410' ' ' GLN . 0.0 OUTLIER -61.54 -46.55 89.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.588 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 40.5 mt-30 -51.21 -57.7 8.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.603 ' HA ' ' HB3' ' A' ' 419' ' ' LEU . . . -52.69 -45.87 67.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . 0.68 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -47.23 -81.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' GLU . . . . . 0.606 ' HB3' ' CG ' ' A' ' 432' ' ' PHE . 0.5 OUTLIER -55.34 -19.27 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 211' ' ' LEU . 0.3 OUTLIER -69.07 -78.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' GLN . . . . . 0.656 ' NE2' HD21 ' A' ' 424' ' ' ASN . 0.0 OUTLIER -59.28 -10.9 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.533 ' HB3' ' O ' ' A' ' 417' ' ' LEU . 1.4 tt -89.94 -49.48 6.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 12.0 ttpp -71.53 -3.37 20.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.531 ' O ' ' HD3' ' A' ' 426' ' ' PRO . 10.9 mt -103.87 -42.22 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.656 HD21 ' NE2' ' A' ' 420' ' ' GLN . 31.4 m-20 -77.22 -9.05 58.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.592 ' CE1' ' HB3' ' A' ' 424' ' ' ASN . 0.1 OUTLIER -159.73 61.59 1.74 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.614 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.544 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.2 Cg_endo -75.09 106.22 2.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.487 1.783 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 426' ' ' PRO . 0.0 OUTLIER 168.46 66.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' SER . . . . . 0.4 ' OG ' ' HB2' ' A' ' 431' ' ' LEU . 23.2 t -179.05 -173.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 1.6 m -108.65 -94.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -97.72 29.36 3.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . 0.417 ' HA ' ' HG2' ' A' ' 434' ' ' LYS . 0.3 OUTLIER -40.21 -44.71 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' PHE . . . . . 0.659 ' CD1' ' C ' ' A' ' 432' ' ' PHE . 0.1 OUTLIER -70.62 -35.23 72.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.016 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' ALA . . . . . 0.577 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -66.97 -21.81 65.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.417 ' HG2' ' HA ' ' A' ' 431' ' ' LEU . 0.0 OUTLIER -100.41 -12.32 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' LEU . . . . . 0.573 HD12 ' CZ ' ' A' ' 387' ' ' PHE . 0.8 OUTLIER -78.06 -37.71 46.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' A' ' 439' ' ' MET . 1.6 pp -71.92 -46.04 59.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 1.6 mt-30 -46.94 -14.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.594 ' HD2' ' CZ ' ' A' ' 374' ' ' PHE . 16.9 mmtp -51.27 -25.24 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' MET . . . . . 0.636 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -23.53 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.99 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.616 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 71.8 p -32.62 -90.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.496 ' O ' HG13 ' A' ' 445' ' ' ILE . 1.1 m-20 -42.59 -23.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.518 ' CD2' ' HA ' ' A' ' 328' ' ' THR . 0.7 OUTLIER -77.04 -79.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 439' ' ' MET . 3.4 ttt180 -58.77 -24.74 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.616 ' HB2' ' O ' ' A' ' 440' ' ' THR . 0.0 OUTLIER -73.95 -71.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 441' ' ' ASP . 28.7 mt -51.94 -29.61 11.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.639 ' CG2' ' CD2' ' A' ' 327' ' ' TYR . 3.3 t -61.12 -68.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 444' ' ' GLN . 6.1 t -44.11 -26.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 451' ' ' GLN . 4.1 tt0 -76.11 -56.88 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -46.14 -25.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' VAL . . . . . 0.692 ' O ' ' N ' ' A' ' 454' ' ' GLN . 24.1 t -90.01 -35.84 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' GLN . . . . . 0.489 ' O ' ' CG2' ' A' ' 455' ' ' VAL . 5.4 mt-30 -51.59 -26.45 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.728 ' HB2' ' CZ ' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -95.03 -50.56 5.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.598 ' HA ' ' CG1' ' A' ' 456' ' ' ILE . 0.2 OUTLIER -69.56 -12.65 61.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . 0.703 ' O ' ' CG ' ' A' ' 458' ' ' LYS . 32.2 tt0 -93.55 -47.67 6.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 451' ' ' GLN . 93.8 t -69.32 -12.35 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.643 ' O ' ' N ' ' A' ' 460' ' ' GLU . 2.4 pp -101.27 -52.34 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . 0.594 ' HE2' ' CE1' ' A' ' 473' ' ' TYR . 0.0 OUTLIER -57.89 -13.92 5.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.703 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -108.02 -37.26 6.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 6.5 m -142.86 55.65 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.643 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.5 mm-40 -48.04 172.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -63.95 -26.71 68.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' A' ' 461' ' ' THR . 3.0 t0 169.73 49.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' MET . . . . . 0.446 ' HG2' ' N ' ' A' ' 464' ' ' SER . 0.6 OUTLIER 60.9 139.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.519 ' O ' ' CG1' ' A' ' 279' ' ' ILE . 3.1 t 179.8 54.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 466' ' ' HIS . 0.1 OUTLIER -175.17 -128.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . 0.973 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 10.6 p80 -167.51 -176.64 0.48 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . 0.973 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.2 Cg_endo -74.99 -40.03 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.503 ' O ' ' CG1' ' A' ' 472' ' ' ILE . 1.5 mt -45.09 -20.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . 0.492 ' N ' ' C ' ' A' ' 467' ' ' PRO . 0.0 OUTLIER -90.44 -55.98 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -48.52 -28.64 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -75.51 -54.16 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.0 OUTLIER -41.81 -57.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' TYR . . . . . 0.594 ' CE1' ' HE2' ' A' ' 457' ' ' LYS . 7.5 t80 -56.71 -51.67 67.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 473' ' ' TYR . 0.0 OUTLIER -52.73 -174.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -141.82 -64.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.762 ' N ' ' HG ' ' A' ' 211' ' ' LEU . 3.9 tp10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' SER . . . . . 0.847 ' O ' ' O ' ' A' ' 209' ' ' ALA . 44.2 m -27.48 -89.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.847 ' O ' ' O ' ' A' ' 208' ' ' SER . . . 1.21 -127.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' ASP . . . . . 0.702 ' HA ' ' HB2' ' A' ' 213' ' ' ALA . 3.3 m-20 -100.71 -6.28 25.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.762 ' HG ' ' N ' ' A' ' 207' ' ' GLU . 0.1 OUTLIER -59.51 -55.99 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . 0.686 ' HG2' ' N ' ' A' ' 207' ' ' GLU . 17.3 mmt-85 -95.63 -19.38 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . 0.702 ' HB2' ' HA ' ' A' ' 210' ' ' ASP . . . -75.3 -65.59 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . 0.489 HD21 ' CB ' ' A' ' 416' ' ' ALA . 29.7 tp -61.16 -47.74 84.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . 0.587 ' CB ' ' O ' ' A' ' 211' ' ' LEU . . . -44.01 -67.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' LYS . . . . . 0.662 ' O ' ' CB ' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -38.45 -36.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 14.9 t60 -80.52 -70.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.593 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' LEU . . . . . 0.73 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 0.3 OUTLIER -42.86 -52.33 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' TYR . . . . . 0.547 ' CD2' HG12 ' A' ' 223' ' ' ILE . 5.0 t80 -69.46 -28.77 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.956 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' ASP . . . . . 0.662 ' CB ' ' O ' ' A' ' 216' ' ' LYS . 0.4 OUTLIER -57.47 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' SER . . . . . 0.901 ' OG ' ' HD1' ' A' ' 299' ' ' TYR . 3.6 p -52.75 -27.73 19.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 222' ' ' TYR . . . . . 0.703 ' HB2' ' CE1' ' A' ' 299' ' ' TYR . 30.3 t80 -69.53 -56.19 8.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.599 HD13 ' CD2' ' A' ' 222' ' ' TYR . 5.8 mm -56.11 -8.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 220' ' ' ASP . 0.6 OUTLIER -96.9 -41.11 8.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 225' ' ' SER . . . . . 0.587 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 43.0 t -63.13 -89.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 226' ' ' PHE . . . . . 0.541 ' CD2' ' HE1' ' A' ' 329' ' ' MET . 0.6 OUTLIER -76.08 114.48 37.83 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.984 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -45.5 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.17 88.44 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 229' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 381' ' ' ASP . 25.2 p -81.85 -165.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . 0.547 ' HB2' ' CB ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -74.6 -25.53 59.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . 0.452 ' N ' ' OD1' ' A' ' 381' ' ' ASP . . . -73.68 -41.51 62.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 232' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -73.45 -41.25 63.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 233' ' ' ALA . . . . . 0.564 ' CB ' ' HG ' ' A' ' 340' ' ' LEU . . . -66.35 -46.57 76.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . 0.941 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -76.82 -1.17 26.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . 1.113 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -80.94 -53.83 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.653 ' O ' ' HA ' ' A' ' 245' ' ' SER . 0.0 OUTLIER -74.9 -35.78 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 237' ' ' LEU . . . . . 0.676 ' HA ' ' HD3' ' A' ' 246' ' ' PRO . 0.3 OUTLIER -60.13 -20.42 58.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 238' ' ' THR . . . . . 0.483 ' HB ' ' O ' ' A' ' 237' ' ' LEU . 0.9 OUTLIER 171.78 30.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.356 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 239' ' ' GLY . . . . . 1.113 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -122.67 48.33 0.96 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 240' ' ' LYS . . . . . 0.753 ' HB2' ' O ' ' A' ' 239' ' ' GLY . 0.0 OUTLIER 111.81 -125.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 109.333 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 241' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 243' ' ' ASP . 0.2 OUTLIER 47.78 19.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.531 ' CG2' ' N ' ' A' ' 243' ' ' ASP . 0.5 OUTLIER 61.25 -68.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 243' ' ' ASP . . . . . 0.583 ' N ' ' O ' ' A' ' 241' ' ' THR . 0.2 OUTLIER -65.66 -9.69 29.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 244' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 240' ' ' LYS . 0.5 OUTLIER 55.16 33.69 21.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 245' ' ' SER . . . . . 0.653 ' HA ' ' O ' ' A' ' 236' ' ' ILE . 1.5 m -170.81 138.72 1.26 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . 0.676 ' HD3' ' HA ' ' A' ' 237' ' ' LEU . 18.3 Cg_endo -75.04 153.93 41.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.523 1.802 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 247' ' ' PHE . . . . . 0.709 ' O ' ' CD1' ' A' ' 347' ' ' PHE . 0.7 OUTLIER -107.56 -133.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 248' ' ' VAL . . . . . 0.798 HG23 ' H ' ' A' ' 347' ' ' PHE . 0.7 OUTLIER 51.43 -159.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 249' ' ' ILE . . . . . 1.188 ' O ' ' HA ' ' A' ' 348' ' ' MET . 1.1 pt -163.28 -40.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 250' ' ' TYR . . . . . 0.838 ' CB ' ' O ' ' A' ' 249' ' ' ILE . 65.1 t80 133.48 27.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 255' ' ' LEU . 45.0 p-10 -80.18 -169.69 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 252' ' ' MET . . . . . 0.478 ' O ' ' CG ' ' A' ' 256' ' ' MET . 5.5 mmt -38.36 -62.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -41.68 -66.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 254' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 255' ' ' LEU . 0.1 OUTLIER -58.41 -69.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.037 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 255' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 251' ' ' ASP . 1.2 tt -36.4 -54.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 256' ' ' MET . . . . . 0.508 ' O ' ' CB ' ' A' ' 260' ' ' ASP . 3.2 mmt -45.54 -79.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 257' ' ' MET . . . . . 0.695 ' O ' ' N ' ' A' ' 262' ' ' ILE . 1.8 mmt -45.33 -28.83 0.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 258' ' ' GLY . . . . . 1.034 ' O ' ' N ' ' A' ' 261' ' ' LYS . . . -84.32 -99.44 0.62 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.545 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 5.9 tt0 -27.24 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 260' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 258' ' ' GLY . 3.9 t0 -78.96 -24.3 43.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 261' ' ' LYS . . . . . 1.034 ' N ' ' O ' ' A' ' 258' ' ' GLY . 0.1 OUTLIER 76.81 32.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 262' ' ' ILE . . . . . 0.695 ' N ' ' O ' ' A' ' 257' ' ' MET . 0.6 OUTLIER 83.47 -29.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 262' ' ' ILE . 0.8 OUTLIER 161.3 69.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 264' ' ' PHE . . . . . 0.522 ' CB ' ' HB2' ' A' ' 261' ' ' LYS . 15.4 t80 -129.51 118.62 22.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 264' ' ' PHE . 0.0 OUTLIER -40.03 122.1 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -113.21 -65.94 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.599 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 34.7 mm 64.52 122.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 268' ' ' THR . . . . . 0.665 HG21 ' N ' ' A' ' 269' ' ' PRO . 0.5 OUTLIER -149.65 174.48 3.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.436 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 269' ' ' PRO . . . . . 0.665 ' N ' HG21 ' A' ' 268' ' ' THR . 18.4 Cg_endo -74.97 52.36 3.02 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.515 1.797 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.567 ' HG ' ' CG2' ' A' ' 268' ' ' THR . 0.0 OUTLIER -85.07 178.29 7.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 271' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' A' ' 270' ' ' LEU . 0.0 OUTLIER 158.38 -179.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -65.99 67.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 273' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 271' ' ' GLN . 0.0 OUTLIER -178.19 -65.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.94 150.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 275' ' ' LYS . . . . . 0.497 ' HB2' ' CG2' ' A' ' 279' ' ' ILE . 0.0 OUTLIER -64.26 -124.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 276' ' ' GLU . . . . . 0.709 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 0.7 OUTLIER -132.39 160.31 36.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 277' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 356' ' ' LEU . 3.1 p -41.27 -27.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . 0.595 ' HB3' ' CB ' ' A' ' 360' ' ' PHE . . . -69.74 -73.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 0.518 ' CD1' ' OE1' ' A' ' 276' ' ' GLU . 1.2 mp -36.04 -31.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . 0.545 ' CZ ' ' OE1' ' A' ' 259' ' ' GLU . 0.0 OUTLIER -76.19 -58.98 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 281' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 285' ' ' CYS . 1.1 mp -64.36 -47.43 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 282' ' ' PHE . . . . . 0.684 ' HB2' ' CD2' ' A' ' 360' ' ' PHE . 5.4 t80 -52.45 -47.08 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 283' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 1.5 tt0 -60.36 -35.79 76.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 284' ' ' GLY . . . . . 0.503 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -84.75 -54.53 2.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 285' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.7 OUTLIER -51.0 -16.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 286' ' ' GLN . . . . . 0.503 ' N ' ' C ' ' A' ' 284' ' ' GLY . 25.2 tt0 -110.29 -26.17 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 287' ' ' PHE . . . . . 0.619 ' CZ ' ' CD ' ' A' ' 291' ' ' GLU . 20.8 t80 -52.03 -30.48 25.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -20.19 63.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 35.2 t -88.47 -54.02 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 290' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.3 m -51.57 -32.36 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . 0.619 ' CD ' ' CZ ' ' A' ' 287' ' ' PHE . 51.6 mt-10 -77.24 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 295' ' ' GLU . . . -33.59 -59.28 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . 0.45 ' CG2' HG23 ' A' ' 322' ' ' VAL . 8.9 t -38.87 -46.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 294' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.5 mt-30 -73.25 -26.22 61.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 295' ' ' GLU . . . . . 0.676 ' N ' ' O ' ' A' ' 292' ' ' ALA . 15.2 mm-40 -77.13 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 296' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' A' ' 300' ' ' ALA . 4.4 mp -39.63 -63.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 297' ' ' THR . . . . . 0.483 HG22 ' CD ' ' A' ' 301' ' ' LYS . 0.9 OUTLIER -42.06 -58.92 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -27.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 299' ' ' TYR . . . . . 0.901 ' HD1' ' OG ' ' A' ' 221' ' ' SER . 0.2 OUTLIER -103.03 -57.57 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.785 ' C ' ' H ' ' A' ' 302' ' ' SER . . . -44.06 -44.46 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' LYS . . . . . 0.483 ' CD ' HG22 ' A' ' 297' ' ' THR . 14.5 mttm -46.81 -2.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 302' ' ' SER . . . . . 0.785 ' H ' ' C ' ' A' ' 300' ' ' ALA . 1.2 p -74.08 -41.42 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 303' ' ' ILE . . . . . 0.595 ' CG2' ' CG2' ' A' ' 409' ' ' ILE . 1.1 mt -62.54 121.52 67.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.31 3.59 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . 0.616 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -174.41 -27.43 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 306' ' ' PHE . . . . . 0.836 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 45.9 t80 -54.44 -63.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 307' ' ' VAL . . . . . 0.481 ' O ' ' NE2' ' A' ' 314' ' ' GLN . 0.1 OUTLIER -69.75 -20.17 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -74.99 -12.61 60.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.836 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 12.1 mt -60.87 -108.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 310' ' ' ASP . . . . . 0.746 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.3 t70 -140.88 151.83 44.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -48.08 74.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . 0.672 ' HB2' ' CD1' ' A' ' 401' ' ' LEU . 3.4 m-80 -79.62 -52.11 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 313' ' ' ASP . . . . . 0.746 ' CB ' ' HB3' ' A' ' 310' ' ' ASP . 40.2 t0 -44.09 -39.48 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 314' ' ' GLN . . . . . 0.799 ' O ' ' CD2' ' A' ' 317' ' ' LEU . 27.3 mt-30 -73.06 -32.49 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 315' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 312' ' ' ASN . 5.6 t -83.2 -34.78 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.674 ' CG2' ' HA ' ' A' ' 400' ' ' LEU . 0.9 OUTLIER -73.12 -44.31 60.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 317' ' ' LEU . . . . . 0.799 ' CD2' ' O ' ' A' ' 314' ' ' GLN . 0.2 OUTLIER -66.19 -28.17 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 318' ' ' LEU . . . . . 0.689 ' N ' HD22 ' A' ' 317' ' ' LEU . 0.2 OUTLIER -76.61 -48.26 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -26.69 37.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 320' ' ' TYR . . . . . 0.48 ' O ' ' NH2' ' A' ' 443' ' ' ARG . 13.1 m-85 -116.4 -0.46 12.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 321' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -115.04 -56.49 0.36 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 326' ' ' ILE . 1.8 p -42.68 -24.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . 0.59 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 19.8 m170 -71.16 -51.47 24.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 324' ' ' GLU . . . . . 0.692 ' O ' ' HB ' ' A' ' 328' ' ' THR . 22.0 mt-10 -73.31 7.39 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 325' ' ' ILE . . . . . 0.671 ' O ' HG21 ' A' ' 328' ' ' THR . 1.2 mp -108.64 -48.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' ILE . . . . . 0.645 ' O ' ' HB2' ' A' ' 330' ' ' LEU . 3.2 mt -74.79 -38.8 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.618 ' CD2' HG23 ' A' ' 446' ' ' VAL . 22.4 m-85 -76.13 -17.47 59.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' THR . . . . . 0.692 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 0.7 OUTLIER -76.37 -58.72 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.444 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' MET . . . . . 0.607 ' N ' ' CG2' ' A' ' 328' ' ' THR . 9.3 ptm -81.04 -16.46 53.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.645 ' HB2' ' O ' ' A' ' 326' ' ' ILE . 1.7 mt -47.97 -56.13 8.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' ALA . . . . . 0.653 ' O ' ' HB2' ' A' ' 334' ' ' MET . . . -37.24 -50.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' SER . . . . . 0.941 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 34.2 m -59.53 -46.24 89.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . 0.548 ' CD1' ' N ' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -76.11 10.94 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' MET . . . . . 0.656 ' CE ' ' HB3' ' A' ' 367' ' ' LYS . 0.0 OUTLIER -108.21 -176.1 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' ASN . . . . . 0.591 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.9 t-20 -148.18 168.17 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' LYS . . . . . 0.591 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.2 OUTLIER -46.73 -57.46 4.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' ASP . . . . . 0.588 ' O ' ' HA ' ' A' ' 349' ' ' THR . 1.3 m-20 -133.65 41.93 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . 0.743 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -167.64 179.97 40.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . 0.688 ' O ' HG21 ' A' ' 341' ' ' ILE . 0.5 OUTLIER -137.16 128.99 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.584 ' CD1' ' HG3' ' A' ' 246' ' ' PRO . 2.7 mm? -49.89 117.37 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' ILE . . . . . 0.732 HG21 ' N ' ' A' ' 348' ' ' MET . 0.8 OUTLIER -137.33 127.73 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' SER . . . . . 0.493 ' CB ' ' HB3' ' A' ' 345' ' ' GLN . 3.7 m 65.75 115.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.44 131.37 50.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 61.53 27.64 68.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' GLN . . . . . 0.493 ' HB3' ' CB ' ' A' ' 342' ' ' SER . 1.9 tt0 -117.28 -99.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' GLY . . . . . 0.715 ' HA3' ' CG1' ' A' ' 248' ' ' VAL . . . -148.22 -131.2 2.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' PHE . . . . . 0.798 ' H ' HG23 ' A' ' 248' ' ' VAL . 0.0 OUTLIER -169.23 176.32 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' MET . . . . . 1.188 ' HA ' ' O ' ' A' ' 249' ' ' ILE . 23.7 ttm -96.25 87.5 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' THR . . . . . 0.743 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 1.4 p -56.66 142.3 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' ARG . . . . . 0.846 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 5.9 ttp85 -58.6 -53.37 59.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 355' ' ' SER . 3.9 pt-20 -41.74 -23.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' PHE . . . . . 0.705 ' CE1' ' CD1' ' A' ' 249' ' ' ILE . 2.5 t80 -84.46 -69.14 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' LEU . . . . . 0.559 ' O ' ' CG ' ' A' ' 356' ' ' LEU . 0.3 OUTLIER -43.38 -54.72 4.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' LYS . . . . . 0.579 ' O ' ' N ' ' A' ' 356' ' ' LEU . 1.0 OUTLIER -58.79 -46.55 87.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' SER . . . . . 0.505 ' HB2' ' O ' ' A' ' 351' ' ' GLU . 1.0 OUTLIER -52.62 82.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' LEU . . . . . 0.616 ' O ' ' C ' ' A' ' 357' ' ' ARG . 0.3 OUTLIER 165.18 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 357' ' ' ARG . . . . . 0.709 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.0 OUTLIER -17.02 123.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' LYS . . . . . 0.771 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.1 OUTLIER -40.44 -49.76 6.79 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.771 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.5 Cg_endo -74.9 -76.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' PHE . . . . . 0.684 ' CD2' ' HB2' ' A' ' 282' ' ' PHE . 2.2 m-30 -48.46 -12.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . 0.622 ' N ' ' O ' ' A' ' 357' ' ' ARG . . . -104.95 38.92 3.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 362' ' ' ASP . . . . . 0.432 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 37.8 p30 -177.56 42.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 363' ' ' PHE . . . . . 0.555 ' O ' ' CG ' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -124.78 0.64 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 364' ' ' MET . . . . . 0.636 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 2.1 tpt -110.21 -3.42 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 365' ' ' GLU . . . . . 0.846 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 2.6 tp10 -67.66 -31.54 3.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 366' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.92 -29.23 8.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.8 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 367' ' ' LYS . . . . . 0.656 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 0.0 OUTLIER -68.72 -57.15 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 368' ' ' PHE . . . . . 0.423 ' CE2' ' CA ' ' A' ' 338' ' ' GLY . 6.0 m-30 -59.15 -42.45 90.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -53.52 -47.64 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 370' ' ' PHE . . . . . 0.772 ' CE1' ' CD1' ' A' ' 374' ' ' PHE . 27.9 t80 -54.81 -46.45 74.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 371' ' ' ALA . . . . . 0.609 ' HB1' ' CA ' ' A' ' 331' ' ' ALA . . . -64.81 -25.76 68.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -21.44 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 370' ' ' PHE . 0.0 OUTLIER -105.43 -22.43 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 374' ' ' PHE . . . . . 0.772 ' CD1' ' CE1' ' A' ' 370' ' ' PHE . 0.2 OUTLIER -89.91 -38.52 13.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 375' ' ' ASN . . . . . 0.497 ' O ' ' HG2' ' A' ' 378' ' ' GLU . 2.4 m120 -59.22 -6.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 374' ' ' PHE . . . -84.5 24.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.618 ' O ' ' C ' ' A' ' 378' ' ' GLU . 0.7 OUTLIER -156.09 10.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . 0.618 ' C ' ' O ' ' A' ' 377' ' ' LEU . 0.0 OUTLIER -17.17 93.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 379' ' ' LEU . . . . . 0.5 HD11 ' CD2' ' A' ' 384' ' ' LEU . 0.1 OUTLIER -82.46 -139.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . 0.622 ' OD2' ' CD2' ' A' ' 425' ' ' HIS . 1.2 p-10 -136.96 133.42 35.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 381' ' ' ASP . . . . . 0.473 ' CG ' ' HB ' ' A' ' 229' ' ' THR . 22.0 m-20 -39.16 -26.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 382' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 380' ' ' ASP . 0.0 OUTLIER -57.94 -55.55 33.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 383' ' ' ASP . . . . . 0.58 ' OD2' ' NE2' ' A' ' 425' ' ' HIS . 0.5 OUTLIER -70.73 -30.7 67.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 3.4 mt -70.32 -57.81 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 385' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 222' ' ' TYR . . . -39.06 -63.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 382' ' ' SER . 1.1 mt -52.25 -50.4 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 387' ' ' PHE . . . . . 0.587 ' CZ ' HD21 ' A' ' 435' ' ' LEU . 0.4 OUTLIER -36.2 -54.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 388' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 392' ' ' ILE . 1.7 mp -41.66 -50.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . 0.543 ' HA ' ' CG2' ' A' ' 392' ' ' ILE . . . -60.35 -41.22 93.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . 0.459 ' O ' ' NE2' ' A' ' 410' ' ' GLN . 5.6 t -67.99 -6.85 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.697 HG22 ' O ' ' A' ' 391' ' ' ILE . 7.7 mt -124.35 -1.49 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' ILE . . . . . 0.682 ' O ' ' N ' ' A' ' 394' ' ' SER . 2.5 tp -100.65 -41.0 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . 0.863 HD11 ' HA ' ' A' ' 406' ' ' ILE . 1.0 OUTLIER -62.7 46.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' SER . . . . . 0.732 ' CB ' HG23 ' A' ' 406' ' ' ILE . 51.0 m 55.09 -98.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 394' ' ' SER . . . 32.76 39.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' ASP . . . . . 0.547 ' OD1' ' HB2' ' A' ' 397' ' ' ARG . 0.4 OUTLIER -104.02 -72.09 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 0.778 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' ARG . . . . . 0.679 ' HB3' ' HD2' ' A' ' 398' ' ' PRO . 0.0 OUTLIER -147.64 176.68 2.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . 0.679 ' HD2' ' HB3' ' A' ' 397' ' ' ARG . 18.4 Cg_endo -74.98 44.45 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . 0.636 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . -128.18 45.88 1.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.674 ' HA ' ' CG2' ' A' ' 316' ' ' THR . 0.7 OUTLIER -128.29 -146.5 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 0.787 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 313' ' ' ASP . 15.1 mt -135.41 -72.85 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . 1.066 ' O ' ' CG1' ' A' ' 406' ' ' ILE . 2.3 m120 -103.78 78.42 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' VAL . . . . . 0.748 ' HA ' ' CD1' ' A' ' 406' ' ' ILE . 0.8 OUTLIER -73.69 -8.36 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.753 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.5 OUTLIER -74.58 -50.43 4.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . 0.952 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -74.98 -15.23 20.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . 1.066 ' CG1' ' O ' ' A' ' 402' ' ' ASN . 0.0 OUTLIER -91.72 -79.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 403' ' ' VAL . 26.3 mt-10 -41.22 -26.92 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . 0.753 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 24.6 m-20 -73.44 -55.9 5.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' ILE . . . . . 0.664 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 23.7 mm -55.11 -21.62 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . 0.588 ' HG3' ' HB3' ' A' ' 393' ' ' LEU . 0.1 OUTLIER -73.19 -44.32 59.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -42.41 -26.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . 0.441 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.2 OUTLIER -84.69 -56.65 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.592 ' CD1' ' CD2' ' A' ' 393' ' ' LEU . 0.2 OUTLIER -51.16 -40.44 58.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.421 HD13 HG12 ' A' ' 390' ' ' VAL . 5.4 tp -59.3 -51.1 71.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.569 ' O ' ' HB3' ' A' ' 419' ' ' LEU . 38.6 mt-30 -50.55 -58.2 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.547 ' HA ' HD21 ' A' ' 419' ' ' LEU . . . -56.78 -44.65 82.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . 0.691 ' C ' ' CD2' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -46.91 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' GLU . . . . . 0.61 ' HB3' ' CG ' ' A' ' 432' ' ' PHE . 0.3 OUTLIER -52.17 -20.11 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.75 HD22 ' HA ' ' A' ' 211' ' ' LEU . 0.0 OUTLIER -68.01 -86.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' GLN . . . . . 0.732 ' O ' ' HB3' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -56.53 -8.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.592 ' C ' ' CD2' ' A' ' 421' ' ' LEU . 0.0 OUTLIER -87.21 -55.7 3.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 426' ' ' PRO . 0.0 OUTLIER -94.81 22.37 6.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 419' ' ' LEU . 93.7 mt -129.48 -38.51 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.732 ' HB3' ' O ' ' A' ' 420' ' ' GLN . 0.0 OUTLIER -96.08 -10.6 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.761 ' O ' ' CG ' ' A' ' 425' ' ' HIS . 0.7 OUTLIER -178.95 65.96 0.17 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.589 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.569 ' HA ' ' HA ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.96 -163.57 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.42 -50.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.33 -153.55 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 5.7 m -94.96 -52.44 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -110.08 24.79 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 430' ' ' GLN . 1.2 tm? -37.99 -29.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' PHE . . . . . 0.622 ' CG ' ' N ' ' A' ' 433' ' ' ALA . 0.1 OUTLIER -83.7 -48.63 9.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' ALA . . . . . 0.622 ' N ' ' CG ' ' A' ' 432' ' ' PHE . . . -46.59 -23.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.572 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 12.3 ptmt -96.83 -47.81 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' LEU . . . . . 0.587 HD21 ' CZ ' ' A' ' 387' ' ' PHE . 0.3 OUTLIER -39.12 -38.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.557 HD22 ' CE1' ' A' ' 387' ' ' PHE . 2.7 mt -76.79 -47.14 22.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 2.7 mm100 -47.53 -11.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' LYS . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 374' ' ' PHE . 0.0 OUTLIER -51.26 -27.63 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' MET . . . . . 0.558 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -25.29 -44.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.7 OUTLIER -33.79 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.563 ' O ' ' CG1' ' A' ' 445' ' ' ILE . 0.6 OUTLIER -63.85 -17.03 62.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.587 ' CD1' ' HB2' ' A' ' 327' ' ' TYR . 0.1 OUTLIER -74.34 -78.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 439' ' ' MET . 0.2 OUTLIER -53.36 -19.92 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 440' ' ' THR . 7.9 mm100 -67.39 -64.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.573 ' CD1' ' O ' ' A' ' 366' ' ' PRO . 0.9 OUTLIER -44.54 -43.8 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.618 HG23 ' CD2' ' A' ' 327' ' ' TYR . 8.7 t -53.01 -72.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 444' ' ' GLN . 8.4 t -43.78 -25.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 445' ' ' ILE . 4.2 mt-10 -80.59 -56.47 4.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -28.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' VAL . . . . . 0.733 ' O ' ' N ' ' A' ' 454' ' ' GLN . 59.4 t -86.81 -48.9 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' GLN . . . . . 0.52 ' O ' ' CG2' ' A' ' 455' ' ' VAL . 39.8 mt-30 -40.57 -28.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 363' ' ' PHE . 7.5 mt -86.75 -66.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.373 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.478 ' HA ' HG22 ' A' ' 456' ' ' ILE . 1.3 tp -60.0 -14.48 16.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . 0.733 ' N ' ' O ' ' A' ' 450' ' ' VAL . 33.3 tt0 -84.38 -49.01 9.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 451' ' ' GLN . 94.5 t -70.53 -7.79 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.975 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -103.72 -60.17 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . 0.623 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 0.3 OUTLIER -39.85 -34.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 0.7 OUTLIER -89.23 -40.53 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.2 OUTLIER -121.44 39.57 3.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.975 ' N ' ' O ' ' A' ' 456' ' ' ILE . 4.4 mm-40 -42.53 132.76 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -38.67 -29.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 460' ' ' GLU . 0.8 OUTLIER 172.06 64.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 26.7 ttt 62.43 154.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 465' ' ' LEU . 1.4 t -160.32 152.68 20.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.654 ' CD1' ' CD2' ' A' ' 466' ' ' HIS . 0.2 OUTLIER 37.27 -116.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . 0.934 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 15.9 p80 -158.16 -176.54 0.63 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.559 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . 0.934 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.4 Cg_endo -75.02 -50.88 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.421 1.748 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.614 ' N ' ' HD1' ' A' ' 466' ' ' HIS . 1.8 mt -41.77 -21.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 467' ' ' PRO . 0.2 OUTLIER -85.98 -57.01 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -47.39 -30.5 3.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -70.23 -52.25 24.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 468' ' ' LEU . 0.7 OUTLIER -48.39 -59.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' TYR . . . . . 0.489 ' OH ' ' CG1' ' A' ' 450' ' ' VAL . 0.2 OUTLIER -48.83 -50.18 35.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . 0.416 ' N ' ' CD2' ' A' ' 473' ' ' TYR . 0.8 OUTLIER -58.39 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 1.1 p30 175.22 75.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 210' ' ' ASP . . . . . 0.547 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 17.0 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 1.199 HD22 ' CD1' ' A' ' 419' ' ' LEU . 0.1 OUTLIER -46.66 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 212' ' ' ARG . . . . . 0.508 ' N ' HD12 ' A' ' 211' ' ' LEU . 0.2 OUTLIER -87.86 -14.81 38.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 213' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -74.58 -63.37 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 214' ' ' LEU . . . . . 1.067 HD23 ' HB2' ' A' ' 416' ' ' ALA . 15.6 tp -56.03 -50.25 71.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -44.72 -60.96 1.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 216' ' ' LYS . . . . . 0.667 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -54.07 -28.05 36.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 217' ' ' HIS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 220' ' ' ASP . 32.6 t60 -75.87 -68.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.591 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 386' ' ' ILE . 0.2 OUTLIER -37.78 -54.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 219' ' ' TYR . . . . . 0.498 ' CZ ' HD11 ' A' ' 223' ' ' ILE . 4.8 t80 -69.77 -29.45 66.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 220' ' ' ASP . . . . . 0.667 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 0.3 OUTLIER -60.02 -76.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 221' ' ' SER . . . . . 0.761 ' HG ' ' HD1' ' A' ' 299' ' ' TYR . 67.6 p -51.46 -27.63 10.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 222' ' ' TYR . . . . . 0.781 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 16.2 t80 -74.68 -52.59 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 223' ' ' ILE . . . . . 0.498 HD11 ' CZ ' ' A' ' 219' ' ' TYR . 0.6 OUTLIER -57.13 -6.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 224' ' ' LYS . . . . . 0.509 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -100.42 -43.45 6.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 225' ' ' SER . . . . . 0.725 ' HG ' ' C ' ' A' ' 295' ' ' GLU . 44.8 t -65.8 -82.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 226' ' ' PHE . . . . . 0.704 ' CD2' ' HE1' ' A' ' 329' ' ' MET . 1.2 t80 -115.0 110.87 45.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 227' ' ' PRO . . . . . 0.643 ' O ' HG23 ' A' ' 229' ' ' THR . 18.3 Cg_endo -74.98 -22.65 14.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.64 HD12 ' HG ' ' A' ' 333' ' ' LEU . 0.2 OUTLIER -57.74 109.38 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 229' ' ' THR . . . . . 0.645 ' O ' ' N ' ' A' ' 233' ' ' ALA . 76.2 p -137.85 -177.65 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 230' ' ' LYS . . . . . 0.796 ' CG ' ' HB3' ' A' ' 332' ' ' SER . 0.5 OUTLIER -64.56 -26.93 68.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 231' ' ' ALA . . . . . 0.935 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -78.78 -23.93 44.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 232' ' ' LYS . . . . . 0.524 ' O ' HG12 ' A' ' 236' ' ' ILE . 1.6 mttm -99.8 -34.02 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 233' ' ' ALA . . . . . 1.034 ' HB2' HD12 ' A' ' 333' ' ' LEU . . . -72.71 -51.57 18.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.688 ' N ' ' HD2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -75.62 -9.15 58.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 235' ' ' ALA . . . . . 0.963 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -80.78 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.572 HD11 HD12 ' A' ' 340' ' ' LEU . 19.5 pt -61.43 -41.69 90.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 237' ' ' LEU . . . . . 0.936 ' CD1' HD21 ' A' ' 340' ' ' LEU . 14.6 mt -46.81 -27.98 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 238' ' ' THR . . . . . . . . . . . . . 5.2 t -173.54 -30.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 239' ' ' GLY . . . . . 0.963 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 246' ' ' PRO . . . . . 0.7 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 247' ' ' PHE . . . . . 0.699 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 2.0 t80 -12.26 77.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 1.066 HG13 ' CZ ' ' A' ' 347' ' ' PHE . 3.8 t -53.03 138.39 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 249' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 349' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 276' ' ' GLU . . . . . 0.616 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 1.2 pt-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 277' ' ' VAL . . . . . 0.496 HG12 HD22 ' A' ' 356' ' ' LEU . 15.4 t -51.55 -16.58 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 278' ' ' ALA . . . . . 0.706 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -83.47 -68.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 0.513 ' C ' ' O ' ' A' ' 278' ' ' ALA . 1.3 mp -31.59 -36.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 280' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 278' ' ' ALA . 4.6 mtp180 -77.41 -54.72 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 281' ' ' ILE . . . . . 1.071 HD11 ' CZ ' ' A' ' 352' ' ' PHE . 0.6 OUTLIER -74.31 -47.68 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 282' ' ' PHE . . . . . 0.797 ' CD2' ' CZ ' ' A' ' 360' ' ' PHE . 0.5 OUTLIER -50.26 -44.74 53.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 283' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 21.8 mt-30 -67.01 -36.43 82.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 284' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -81.17 -57.14 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 285' ' ' CYS . . . . . 0.618 ' N ' ' O ' ' A' ' 281' ' ' ILE . 1.7 p -55.23 -15.47 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 286' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 3.4 tt0 -107.89 -23.31 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 287' ' ' PHE . . . . . 0.708 ' CE1' ' CG ' ' A' ' 291' ' ' GLU . 8.9 t80 -50.73 -48.26 59.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 288' ' ' ARG . . . . . 0.569 ' NH2' ' CE2' ' A' ' 287' ' ' PHE . 2.1 mmp_? -48.18 -21.88 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 289' ' ' SER . . . . . 0.536 ' HA ' HD13 ' A' ' 326' ' ' ILE . 1.0 OUTLIER -83.45 -59.61 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 290' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 287' ' ' PHE . 3.0 m -53.27 -23.77 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 291' ' ' GLU . . . . . 0.708 ' CG ' ' CE1' ' A' ' 287' ' ' PHE . 30.2 mt-10 -78.5 -61.52 1.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 292' ' ' ALA . . . . . 0.755 ' HB3' ' CD1' ' A' ' 326' ' ' ILE . . . -34.44 -56.83 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 293' ' ' VAL . . . . . 0.578 HG22 HG11 ' A' ' 322' ' ' VAL . 17.1 t -39.33 -46.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 294' ' ' GLN . . . . . 0.546 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.8 mt-30 -72.35 -29.37 63.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 295' ' ' GLU . . . . . 0.725 ' C ' ' HG ' ' A' ' 225' ' ' SER . 6.7 mm-40 -76.72 -57.15 4.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 296' ' ' ILE . . . . . 0.972 HG21 HD21 ' A' ' 318' ' ' LEU . 2.2 mp -37.75 -63.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 297' ' ' THR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -40.07 -60.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.47 -27.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 299' ' ' TYR . . . . . 0.781 ' CZ ' ' HB2' ' A' ' 222' ' ' TYR . 0.8 OUTLIER -108.14 -33.83 7.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.776 ' N ' ' O ' ' A' ' 296' ' ' ILE . . . -61.82 -56.35 20.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -50.78 -1.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 302' ' ' SER . . . . . 0.756 ' CB ' ' OG ' ' A' ' 221' ' ' SER . 8.2 p -73.49 -39.01 65.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 303' ' ' ILE . . . . . 0.819 HD13 ' CD2' ' A' ' 393' ' ' LEU . 1.7 mt -56.92 129.47 78.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 304' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.3 Cg_endo -74.95 47.46 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 305' ' ' GLY . . . . . 0.593 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -167.35 -27.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.779 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 65.6 t80 -55.34 -60.25 3.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -23.76 33.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -73.55 -14.06 61.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.779 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.2 mt -69.91 -109.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 310' ' ' ASP . . . . . 0.694 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -144.77 151.32 38.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -46.99 79.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 312' ' ' ASN . . . . . 0.565 ' CB ' HD11 ' A' ' 401' ' ' LEU . 10.5 m120 -78.46 -50.49 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 313' ' ' ASP . . . . . 0.878 ' N ' HD12 ' A' ' 401' ' ' LEU . 43.6 t0 -47.49 -53.23 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 314' ' ' GLN . . . . . 0.673 ' HA ' HD21 ' A' ' 317' ' ' LEU . 4.1 mt-30 -50.71 -47.21 59.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 315' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 316' ' ' THR . 1.1 t -69.84 -50.19 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.734 HG21 ' O ' ' A' ' 399' ' ' GLY . 1.3 m -42.15 -59.35 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 317' ' ' LEU . . . . . 0.775 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.3 OUTLIER -50.53 -56.34 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 318' ' ' LEU . . . . . 0.972 HD21 HG21 ' A' ' 296' ' ' ILE . 0.2 OUTLIER -54.48 -49.87 69.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -41.49 -42.77 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 320' ' ' TYR . . . . . 0.514 ' O ' ' HD2' ' A' ' 397' ' ' ARG . 11.1 m-85 -113.37 5.15 16.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 321' ' ' GLY . . . . . 0.775 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -107.4 -54.3 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 322' ' ' VAL . . . . . 0.934 ' HB ' HD23 ' A' ' 318' ' ' LEU . 2.9 p -37.16 -32.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 323' ' ' HIS . . . . . 0.605 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 17.7 m170 -56.65 -68.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 324' ' ' GLU . . . . . 0.812 ' O ' ' HB ' ' A' ' 328' ' ' THR . 0.9 OUTLIER -58.86 -2.98 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 325' ' ' ILE . . . . . 0.992 HD12 HG22 ' A' ' 391' ' ' ILE . 1.1 mp -93.92 -61.14 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 326' ' ' ILE . . . . . 1.003 HG22 HD22 ' A' ' 330' ' ' LEU . 38.9 mt -56.65 -40.89 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.81 ' CD2' HG22 ' A' ' 446' ' ' VAL . 23.6 m-85 -78.31 -21.31 49.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 328' ' ' THR . . . . . 0.812 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 0.6 OUTLIER -56.82 -58.73 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.94 ' O ' HD22 ' A' ' 333' ' ' LEU . 11.7 ptm -90.17 -31.51 17.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 1.003 HD22 HG22 ' A' ' 326' ' ' ILE . 0.4 OUTLIER -35.84 -64.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 331' ' ' ALA . . . . . 0.882 ' HB1' ' CB ' ' A' ' 371' ' ' ALA . . . -34.0 -49.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 332' ' ' SER . . . . . 0.796 ' HB3' ' CG ' ' A' ' 230' ' ' LYS . 0.8 OUTLIER -59.1 -48.06 82.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 1.034 HD12 ' HB2' ' A' ' 233' ' ' ALA . 0.1 OUTLIER -77.52 31.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 334' ' ' MET . . . . . 0.718 ' SD ' HG12 ' A' ' 339' ' ' VAL . 2.9 mmt -108.76 173.44 6.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 335' ' ' ASN . . . . . 0.725 ' O ' ' CD1' ' A' ' 368' ' ' PHE . 3.0 t-20 -140.19 167.87 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 336' ' ' LYS . . . . . 0.765 ' O ' ' CZ ' ' A' ' 368' ' ' PHE . 0.1 OUTLIER -58.29 -45.24 88.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 337' ' ' ASP . . . . . 0.641 ' HA ' ' NH1' ' A' ' 350' ' ' ARG . 1.6 m-20 -135.45 42.23 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 338' ' ' GLY . . . . . 0.812 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -175.88 178.22 47.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 339' ' ' VAL . . . . . 0.718 HG12 ' SD ' ' A' ' 334' ' ' MET . 17.0 m -148.73 129.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 0.936 HD21 ' CD1' ' A' ' 237' ' ' LEU . 1.9 mm? -52.87 127.13 22.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 341' ' ' ILE . . . . . 0.957 HG23 ' HA ' ' A' ' 347' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 346' ' ' GLY . . . . . 0.699 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 1.066 ' CZ ' HG13 ' A' ' 248' ' ' VAL . 3.2 p90 -178.03 143.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 0.735 . . . . 0.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.527 ' O ' ' HA2' ' A' ' 338' ' ' GLY . 4.1 mtp -91.5 115.08 27.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 349' ' ' THR . . . . . 0.958 HG22 ' CE1' ' A' ' 347' ' ' PHE . 2.3 p -71.56 155.7 40.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.431 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 350' ' ' ARG . . . . . 0.872 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 0.0 OUTLIER -69.0 -52.92 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 351' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 355' ' ' SER . 8.2 mm-40 -46.81 -19.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 352' ' ' PHE . . . . . 1.071 ' CZ ' HD11 ' A' ' 281' ' ' ILE . 6.5 t80 -89.14 -74.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 353' ' ' LEU . . . . . 0.884 HD21 ' SD ' ' A' ' 364' ' ' MET . 0.3 OUTLIER -41.03 -54.54 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 354' ' ' LYS . . . . . 0.655 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.4 OUTLIER -57.56 -49.2 77.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 355' ' ' SER . . . . . 0.464 ' C ' ' HG ' ' A' ' 356' ' ' LEU . 1.7 m -51.28 78.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 356' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 354' ' ' LYS . 0.7 OUTLIER 165.81 -159.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 357' ' ' ARG . . . . . 0.616 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.0 OUTLIER -29.95 127.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 358' ' ' LYS . . . . . 0.744 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -44.12 -47.05 23.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 359' ' ' PRO . . . . . 0.744 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.02 -78.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.444 1.76 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 360' ' ' PHE . . . . . 0.797 ' CZ ' ' CD2' ' A' ' 282' ' ' PHE . 2.0 m-85 -45.7 -13.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 361' ' ' GLY . . . . . 0.652 ' C ' ' HA ' ' A' ' 354' ' ' LYS . . . -92.41 45.86 2.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 362' ' ' ASP . . . . . . . . . . . . . 21.5 t0 178.15 58.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 363' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -124.95 33.45 5.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 364' ' ' MET . . . . . 0.884 ' SD ' HD21 ' A' ' 353' ' ' LEU . 0.0 OUTLIER -157.03 -42.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 365' ' ' GLU . . . . . 0.872 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 0.8 OUTLIER -46.5 -39.02 12.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.746 ' HD2' ' C ' ' A' ' 364' ' ' MET . 18.2 Cg_endo -74.96 -26.58 10.87 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 367' ' ' LYS . . . . . 0.689 ' HB2' ' HE3' ' A' ' 334' ' ' MET . 11.9 mttt -73.52 -57.03 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 368' ' ' PHE . . . . . 0.765 ' CZ ' ' O ' ' A' ' 336' ' ' LYS . 0.0 OUTLIER -58.97 -50.94 72.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 369' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 368' ' ' PHE . 2.0 tt0 -48.19 -52.7 19.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 370' ' ' PHE . . . . . 0.889 ' CD2' HD11 ' A' ' 445' ' ' ILE . 3.3 m-85 -55.5 -35.56 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 371' ' ' ALA . . . . . 0.882 ' CB ' ' HB1' ' A' ' 331' ' ' ALA . . . -64.18 -45.74 87.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -50.71 -21.81 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 373' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 370' ' ' PHE . 0.0 OUTLIER -107.47 -20.97 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 374' ' ' PHE . . . . . 1.07 ' CZ ' HD23 ' A' ' 442' ' ' LEU . 0.7 OUTLIER -89.29 -35.31 16.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 375' ' ' ASN . . . . . 0.436 HD21 ' HB1' ' A' ' 371' ' ' ALA . 19.4 m120 -49.34 -15.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.501 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -88.75 36.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.822 HD22 ' HG3' ' A' ' 438' ' ' LYS . 1.1 pp -160.52 2.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 378' ' ' GLU . . . . . 0.847 ' OE1' HD13 ' A' ' 384' ' ' LEU . 3.9 mt-10 -104.05 113.24 26.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 425' ' ' HIS . 4.2 mm? -81.96 -111.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 380' ' ' ASP . . . . . 0.601 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 27.9 p30 -106.37 141.16 38.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 381' ' ' ASP . . . . . 0.476 ' HA ' HD12 ' A' ' 384' ' ' LEU . 8.7 m-20 -35.94 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 382' ' ' SER . . . . . 0.6 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 3.3 m -58.71 -61.82 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.046 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 383' ' ' ASP . . . . . 0.54 ' CG ' ' OD1' ' A' ' 380' ' ' ASP . 4.4 m-20 -60.27 -27.79 67.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.847 HD13 ' OE1' ' A' ' 378' ' ' GLU . 4.2 mt -75.86 -55.25 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 385' ' ' ALA . . . . . 0.891 ' O ' HG22 ' A' ' 388' ' ' ILE . . . -38.16 -40.87 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.836 ' HA ' HD12 ' A' ' 218' ' ' LEU . 14.5 mt -71.98 -49.0 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 387' ' ' PHE . . . . . 0.859 ' CE2' HD23 ' A' ' 436' ' ' LEU . 6.9 t80 -39.35 -58.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 388' ' ' ILE . . . . . 0.891 HG22 ' O ' ' A' ' 385' ' ' ALA . 8.1 tt -43.81 -33.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 389' ' ' ALA . . . . . 0.583 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -74.78 -42.36 58.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.603 ' O ' ' NE2' ' A' ' 410' ' ' GLN . 59.0 t -59.35 -11.65 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.992 HG22 HD12 ' A' ' 325' ' ' ILE . 4.2 mp -113.69 -20.68 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 392' ' ' ILE . . . . . 0.672 ' N ' HD11 ' A' ' 325' ' ' ILE . 0.2 OUTLIER -69.08 -52.94 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 1.034 HD23 HD11 ' A' ' 413' ' ' LEU . 3.1 mm? -64.54 53.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 394' ' ' SER . . . . . 0.855 ' CB ' HD11 ' A' ' 400' ' ' LEU . 0.5 OUTLIER 28.49 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 395' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 393' ' ' LEU . . . 55.63 20.18 23.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 396' ' ' ASP . . . . . 0.456 ' HB3' ' NH2' ' A' ' 397' ' ' ARG . 0.3 OUTLIER 167.91 35.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 397' ' ' ARG . . . . . 0.61 ' CG ' ' OG ' ' A' ' 394' ' ' SER . 1.4 mmt180 -118.52 127.54 26.51 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.333 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 133.89 17.17 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.458 1.768 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 399' ' ' GLY . . . . . 0.734 ' O ' HG21 ' A' ' 316' ' ' THR . . . 91.09 31.46 9.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.855 HD11 ' CB ' ' A' ' 394' ' ' SER . 2.4 mt -78.85 175.14 10.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.878 HD12 ' N ' ' A' ' 313' ' ' ASP . 30.9 mt -117.31 -68.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 402' ' ' ASN . . . . . 1.058 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 3.3 m-20 -106.82 75.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 403' ' ' VAL . . . . . 0.579 ' N ' HD12 ' A' ' 406' ' ' ILE . 1.2 t -65.67 -7.72 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.681 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 12.3 mtmt -78.02 -54.01 1.35 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 405' ' ' PRO . . . . . 1.058 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -74.97 -38.81 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 406' ' ' ILE . . . . . 0.88 HD12 ' C ' ' A' ' 402' ' ' ASN . 3.8 mt -57.53 -71.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.21 -23.18 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 408' ' ' ASP . . . . . 0.681 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 49.5 m-20 -74.72 -51.59 13.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 409' ' ' ILE . . . . . 0.747 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 4.7 mm -56.43 -22.37 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 410' ' ' GLN . . . . . 0.611 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.1 OUTLIER -74.33 -45.77 45.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -44.12 -25.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 412' ' ' ASN . . . . . 0.434 ' N ' ' C ' ' A' ' 410' ' ' GLN . 12.5 t30 -84.42 -66.52 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 1.034 HD11 HD23 ' A' ' 393' ' ' LEU . 0.1 OUTLIER -42.85 -41.22 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.522 ' CD2' ' CE2' ' A' ' 432' ' ' PHE . 0.2 OUTLIER -60.12 -48.93 79.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.613 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 39.4 mt-30 -50.46 -55.54 15.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 1.067 ' HB2' HD23 ' A' ' 214' ' ' LEU . . . -52.77 -45.52 67.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 417' ' ' LEU . . . . . 1.086 HD11 ' HB2' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -49.15 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 418' ' ' GLU . . . . . 1.014 ' H ' HD13 ' A' ' 417' ' ' LEU . 7.2 tm-20 -55.4 -19.1 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 1.199 ' CD1' HD22 ' A' ' 211' ' ' LEU . 0.3 OUTLIER -68.62 -84.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 420' ' ' GLN . . . . . 0.706 ' N ' HD23 ' A' ' 419' ' ' LEU . 0.0 OUTLIER -57.36 -8.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.788 HD13 HD21 ' A' ' 417' ' ' LEU . 9.6 tt -91.89 -50.54 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 422' ' ' LYS . . . . . 0.6 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 0.7 OUTLIER -71.36 -2.37 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.432 ' CD1' HD21 ' A' ' 211' ' ' LEU . 10.5 mt -104.9 -45.44 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 425' ' ' HIS . 2.5 m120 -73.41 -9.11 58.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.576 ' CD2' ' HG ' ' A' ' 379' ' ' LEU . 0.0 OUTLIER -167.28 69.28 0.95 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.56 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.6 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.2 Cg_endo -75.05 115.49 4.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 428' ' ' SER . 16.4 pt-20 -174.56 125.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 428' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 427' ' ' GLU . 0.3 OUTLIER 84.06 -166.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 429' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 431' ' ' LEU . 53.0 m -129.73 154.69 46.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 430' ' ' GLN . . . . . 0.627 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER 39.97 27.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 431' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 429' ' ' SER . 34.0 tp -40.13 -43.19 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 432' ' ' PHE . . . . . 1.086 ' HB2' HD11 ' A' ' 417' ' ' LEU . 25.8 p90 -72.58 -37.69 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 433' ' ' ALA . . . . . 0.627 ' HB3' ' HB2' ' A' ' 430' ' ' GLN . . . -56.33 -25.22 48.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -104.25 -17.93 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 435' ' ' LEU . . . . . 0.814 ' O ' HD12 ' A' ' 435' ' ' LEU . 0.1 OUTLIER -82.71 -30.72 28.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.859 HD23 ' CE2' ' A' ' 387' ' ' PHE . 79.9 mt -75.71 -43.9 44.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 437' ' ' GLN . . . . . 0.64 ' O ' HG23 ' A' ' 440' ' ' THR . 3.0 mt-30 -43.43 -16.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.822 ' HG3' HD22 ' A' ' 377' ' ' LEU . 1.3 mmpp? -50.79 -24.66 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 439' ' ' MET . . . . . 0.607 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -28.05 -41.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 437' ' ' GLN . 66.6 p -33.86 -74.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 110.413 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.617 ' O ' HG13 ' A' ' 445' ' ' ILE . 0.2 OUTLIER -57.9 -24.27 56.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 442' ' ' LEU . . . . . 1.07 HD23 ' CZ ' ' A' ' 374' ' ' PHE . 0.1 OUTLIER -73.76 -76.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 443' ' ' ARG . . . . . 0.607 ' N ' ' O ' ' A' ' 439' ' ' MET . 6.9 ttp180 -49.7 -18.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.9 ' O ' HG22 ' A' ' 447' ' ' THR . 7.2 mm-40 -69.65 -65.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.889 HD11 ' CD2' ' A' ' 370' ' ' PHE . 0.3 OUTLIER -43.17 -43.37 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.81 HG22 ' CD2' ' A' ' 327' ' ' TYR . 10.6 t -51.94 -69.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' THR . . . . . 0.9 HG22 ' O ' ' A' ' 444' ' ' GLN . 8.9 t -45.27 -24.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 446' ' ' VAL . 8.0 mt-10 -80.48 -53.41 6.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 449' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -43.92 -29.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.538 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 450' ' ' VAL . . . . . 0.956 HG12 ' HB2' ' A' ' 454' ' ' GLN . 4.0 t -86.51 -47.75 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 451' ' ' GLN . . . . . 0.613 ' O ' HG23 ' A' ' 455' ' ' VAL . 44.5 mt-30 -40.15 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.588 ' HB2' ' CE1' ' A' ' 363' ' ' PHE . 7.8 mt -89.43 -57.46 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.618 ' HA ' ' CG1' ' A' ' 456' ' ' ILE . 5.0 tp -70.15 -7.33 40.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 454' ' ' GLN . . . . . 0.956 ' HB2' HG12 ' A' ' 450' ' ' VAL . 2.2 tp60 -94.69 -46.83 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 451' ' ' GLN . 77.3 t -69.85 -14.3 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' ILE . . . . . 0.928 HD12 ' N ' ' A' ' 457' ' ' LYS . 2.4 pp -99.13 -52.61 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 457' ' ' LYS . . . . . 0.928 ' N ' HD12 ' A' ' 456' ' ' ILE . 0.0 OUTLIER -56.46 -16.39 5.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 458' ' ' LYS . . . . . 0.74 ' HG3' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -113.68 -22.1 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 459' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 459' ' ' THR . 3.0 m -153.89 56.79 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.2 mm-40 -51.14 172.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -69.61 -29.62 67.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 462' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 461' ' ' THR . 3.2 t0 168.97 46.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 463' ' ' MET . . . . . 0.471 ' O ' ' CB ' ' A' ' 464' ' ' SER . 0.5 OUTLIER 59.14 145.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 464' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 463' ' ' MET . 0.6 OUTLIER 161.35 44.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.034 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.789 HD23 ' C ' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -138.5 169.72 17.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 466' ' ' HIS . . . . . 1.077 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 8.1 p80 -119.28 -172.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.618 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 467' ' ' PRO . . . . . 1.077 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.98 -43.75 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.682 HD12 ' ND1' ' A' ' 466' ' ' HIS . 0.6 OUTLIER -47.04 -18.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 0.0 109.365 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 469' ' ' LEU . . . . . 0.794 HD21 ' CE1' ' A' ' 466' ' ' HIS . 13.5 mt -93.86 -55.64 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -47.51 -29.37 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 471' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 467' ' ' PRO . 35.5 mt-10 -75.72 -51.5 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 472' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.1 mm -46.33 -57.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 473' ' ' TYR . . . . . 0.537 ' CZ ' ' HD3' ' A' ' 457' ' ' LYS . 1.4 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 210' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 214' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.865 HD11 ' CB ' ' A' ' 416' ' ' ALA . 0.2 OUTLIER -40.88 -63.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 212' ' ' ARG . . . . . 0.708 HH22 ' NE2' ' A' ' 420' ' ' GLN . 9.7 mmt180 -56.05 -37.91 69.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -69.89 -60.51 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 214' ' ' LEU . . . . . 0.673 ' N ' ' O ' ' A' ' 210' ' ' ASP . 0.3 OUTLIER -49.53 -34.3 17.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 215' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 217' ' ' HIS . . . -53.1 -70.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 216' ' ' LYS . . . . . 0.803 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -35.59 -34.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 217' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 220' ' ' ASP . 40.4 t60 -69.43 -66.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.646 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.805 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 0.1 OUTLIER -34.33 -56.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 219' ' ' TYR . . . . . 1.069 ' CE1' ' HA ' ' A' ' 382' ' ' SER . 59.9 m-85 -73.56 -26.41 60.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 220' ' ' ASP . . . . . 0.803 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 9.2 t0 -56.83 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 221' ' ' SER . . . . . 0.583 ' HB3' ' CB ' ' A' ' 302' ' ' SER . 14.6 t -53.0 -27.38 18.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 222' ' ' TYR . . . . . 0.811 ' CD2' ' CE2' ' A' ' 299' ' ' TYR . 0.8 OUTLIER -74.91 -47.3 30.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 111.036 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 223' ' ' ILE . . . . . 0.599 ' N ' ' O ' ' A' ' 219' ' ' TYR . 1.1 mp -55.96 -10.66 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 224' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 220' ' ' ASP . 1.2 mptp? -98.0 -44.7 6.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 225' ' ' SER . . . . . 0.58 ' OG ' ' O ' ' A' ' 295' ' ' GLU . 43.3 t -62.91 -84.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 226' ' ' PHE . . . . . 0.625 ' CZ ' ' HB3' ' A' ' 228' ' ' LEU . 6.1 t80 -113.42 96.47 39.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 227' ' ' PRO . . . . . 0.632 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.2 Cg_endo -75.02 -18.92 18.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.639 HD12 HD13 ' A' ' 333' ' ' LEU . 0.9 OUTLIER -61.85 65.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 229' ' ' THR . . . . . 0.632 ' N ' ' O ' ' A' ' 227' ' ' PRO . 12.4 p -86.64 -162.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 230' ' ' LYS . . . . . 0.6 ' HG2' HD11 ' A' ' 384' ' ' LEU . 0.0 OUTLIER -80.34 -27.08 38.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 231' ' ' ALA . . . . . 0.474 ' HB3' ' OD2' ' A' ' 381' ' ' ASP . . . -78.87 -42.09 28.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 232' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 227' ' ' PRO . 3.9 mttp -74.72 -36.81 62.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 233' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 229' ' ' THR . . . -69.84 -42.66 73.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.826 ' NH1' HD13 ' A' ' 237' ' ' LEU . 0.0 OUTLIER -77.73 -4.8 48.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 235' ' ' ALA . . . . . 1.044 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -83.24 -56.32 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.615 HD11 ' CD1' ' A' ' 340' ' ' LEU . 19.8 pt -73.3 -35.2 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 237' ' ' LEU . . . . . 0.826 HD13 ' NH1' ' A' ' 234' ' ' ARG . 12.7 mt -54.17 -29.45 45.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 238' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 237' ' ' LEU . 1.4 t 176.63 25.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.443 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 239' ' ' GLY . . . . . 1.044 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 246' ' ' PRO . . . . . 0.776 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 111.045 -0.406 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 247' ' ' PHE . . . . . 0.638 ' C ' ' O ' ' A' ' 246' ' ' PRO . 12.3 t80 -11.59 73.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 0.999 HG13 ' CZ ' ' A' ' 347' ' ' PHE . 2.8 t -50.49 139.03 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 249' ' ' ILE . . . . . 0.574 HG22 ' O ' ' A' ' 249' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 276' ' ' GLU . . . . . 0.756 ' OE2' ' HB3' ' A' ' 278' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 277' ' ' VAL . . . . . 0.566 HG13 ' NH2' ' A' ' 280' ' ' ARG . 2.8 t -50.47 -32.19 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 278' ' ' ALA . . . . . 0.831 ' HB1' ' O ' ' A' ' 360' ' ' PHE . . . -77.98 -70.25 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 0.612 ' C ' ' O ' ' A' ' 278' ' ' ALA . 0.4 OUTLIER -22.31 -45.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 280' ' ' ARG . . . . . 0.652 ' N ' ' O ' ' A' ' 278' ' ' ALA . 1.5 ptt180 -75.83 -55.18 5.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 281' ' ' ILE . . . . . 0.639 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.4 OUTLIER -70.93 -44.41 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 282' ' ' PHE . . . . . 0.795 ' CE1' ' CE2' ' A' ' 360' ' ' PHE . 0.1 OUTLIER -51.67 -48.87 63.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 283' ' ' GLN . . . . . 0.539 ' HG3' ' N ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -57.81 -36.07 71.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 284' ' ' GLY . . . . . 0.539 ' N ' ' HG3' ' A' ' 283' ' ' GLN . . . -82.56 -56.45 2.8 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 285' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 353' ' ' LEU . 1.5 m -54.02 -14.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 286' ' ' GLN . . . . . 0.473 ' N ' ' C ' ' A' ' 284' ' ' GLY . 33.5 tp60 -107.55 -24.5 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 287' ' ' PHE . . . . . 0.684 ' HA ' HG22 ' A' ' 290' ' ' VAL . 17.1 t80 -55.07 -28.73 54.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -21.31 65.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 289' ' ' SER . . . . . 0.696 ' HA ' HD13 ' A' ' 326' ' ' ILE . 13.4 t -87.11 -59.59 2.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 290' ' ' VAL . . . . . 0.684 HG22 ' HA ' ' A' ' 287' ' ' PHE . 27.3 m -50.23 -22.84 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 291' ' ' GLU . . . . . 0.635 ' O ' ' N ' ' A' ' 294' ' ' GLN . 46.2 mt-10 -82.77 -59.19 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 292' ' ' ALA . . . . . 0.63 ' CB ' HG12 ' A' ' 326' ' ' ILE . . . -31.99 -57.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 293' ' ' VAL . . . . . 0.605 ' HA ' HD22 ' A' ' 318' ' ' LEU . 1.5 p -43.61 -45.44 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 294' ' ' GLN . . . . . 0.635 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.7 mt-30 -72.16 -26.3 62.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 295' ' ' GLU . . . . . 0.58 ' O ' ' OG ' ' A' ' 225' ' ' SER . 5.7 mt-10 -78.98 -61.58 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 296' ' ' ILE . . . . . 0.955 HG21 HD12 ' A' ' 392' ' ' ILE . 3.6 mt -40.85 -66.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 297' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 299' ' ' TYR . 0.9 OUTLIER -40.52 -63.41 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 110.434 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.83 -26.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 299' ' ' TYR . . . . . 0.811 ' CE2' ' CD2' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -102.68 -55.68 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 1.032 ' O ' ' N ' ' A' ' 302' ' ' SER . . . -34.11 -49.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -37.66 0.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 302' ' ' SER . . . . . 1.032 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -75.47 -39.86 58.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 303' ' ' ILE . . . . . 0.627 HD13 ' CD2' ' A' ' 393' ' ' LEU . 0.9 OUTLIER -61.81 130.72 92.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 304' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.5 Cg_endo -74.98 48.02 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.427 1.751 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 305' ' ' GLY . . . . . 0.802 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -169.6 -30.39 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.575 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 52.1 t80 -44.51 -63.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -28.58 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -76.74 -0.52 24.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 1.015 HD11 HD11 ' A' ' 393' ' ' LEU . 25.9 mt -81.79 -71.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 310' ' ' ASP . . . . . 0.809 ' CG ' HD12 ' A' ' 401' ' ' LEU . 6.2 t0 178.23 158.06 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 311' ' ' LEU . . . . . 0.552 HD23 ' H ' ' A' ' 311' ' ' LEU . 0.2 OUTLIER -73.75 -46.01 48.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 312' ' ' ASN . . . . . 0.846 ' HB2' HD11 ' A' ' 401' ' ' LEU . 21.4 m-80 -81.53 -58.7 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 313' ' ' ASP . . . . . 0.757 ' HB3' ' HB3' ' A' ' 310' ' ' ASP . 50.1 t0 -35.4 -59.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 314' ' ' GLN . . . . . 1.071 ' NE2' HD21 ' A' ' 317' ' ' LEU . 0.8 OUTLIER -60.58 -45.61 93.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 315' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 311' ' ' LEU . 6.6 t -63.65 -36.79 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.893 HG21 ' C ' ' A' ' 399' ' ' GLY . 1.0 OUTLIER -60.89 -61.32 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 317' ' ' LEU . . . . . 1.071 HD21 ' NE2' ' A' ' 314' ' ' GLN . 0.3 OUTLIER -44.54 -47.81 10.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 318' ' ' LEU . . . . . 0.975 HD11 HD11 ' A' ' 392' ' ' ILE . 0.3 OUTLIER -62.61 -50.24 72.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -42.62 -28.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 320' ' ' TYR . . . . . 0.475 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 1.1 m-85 -132.87 5.97 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 321' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -106.17 -45.68 1.24 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.573 1.171 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 322' ' ' VAL . . . . . 0.933 HG22 HD11 ' A' ' 326' ' ' ILE . 4.3 p -39.11 -28.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 323' ' ' HIS . . . . . 0.513 ' O ' ' CG ' ' A' ' 327' ' ' TYR . 34.8 m80 -66.21 -44.47 83.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 324' ' ' GLU . . . . . 0.998 ' HA ' ' CE1' ' A' ' 327' ' ' TYR . 23.2 mt-10 -76.15 4.19 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 325' ' ' ILE . . . . . 0.928 HG23 HG12 ' A' ' 388' ' ' ILE . 0.9 OUTLIER -109.77 -44.46 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 326' ' ' ILE . . . . . 0.933 HD11 HG22 ' A' ' 322' ' ' VAL . 3.8 mt -76.29 -37.4 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.998 ' CE1' ' HA ' ' A' ' 324' ' ' GLU . 0.0 OUTLIER -77.5 -5.23 49.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 328' ' ' THR . . . . . 0.918 ' N ' ' HD1' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -87.82 -56.99 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.695 ' SD ' HD11 ' A' ' 333' ' ' LEU . 4.9 ptt? -85.46 -21.03 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.705 ' HB2' ' O ' ' A' ' 326' ' ' ILE . 1.6 mt -39.96 -63.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 331' ' ' ALA . . . . . 1.036 ' HA ' ' HB2' ' A' ' 371' ' ' ALA . . . -30.45 -56.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 332' ' ' SER . . . . . 0.56 ' CB ' ' HB2' ' A' ' 230' ' ' LYS . 67.2 m -59.27 -49.58 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.792 ' N ' HD23 ' A' ' 333' ' ' LEU . 0.2 OUTLIER -66.07 -12.46 55.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 334' ' ' MET . . . . . 0.813 ' CE ' ' HB3' ' A' ' 367' ' ' LYS . 5.3 mtp -90.17 174.76 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 335' ' ' ASN . . . . . 0.643 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.7 t-20 -140.45 171.0 14.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 336' ' ' LYS . . . . . 0.643 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -51.06 -57.97 7.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 337' ' ' ASP . . . . . 0.529 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 1.7 m-20 -126.93 37.63 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 338' ' ' GLY . . . . . 0.801 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -167.82 172.71 42.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 339' ' ' VAL . . . . . 0.756 HG13 ' CE1' ' A' ' 368' ' ' PHE . 14.2 m -151.94 129.11 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' A' ' 236' ' ' ILE . 0.8 OUTLIER -35.66 157.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 341' ' ' ILE . . . . . 0.803 HG23 ' HA ' ' A' ' 347' ' ' PHE . 3.1 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 346' ' ' GLY . . . . . 0.604 ' HA3' ' HB3' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 0.999 ' CZ ' HG13 ' A' ' 248' ' ' VAL . 8.1 p90 -160.32 149.43 17.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.593 ' N ' ' CG2' ' A' ' 341' ' ' ILE . 1.4 mmm -97.51 114.61 26.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 349' ' ' THR . . . . . 0.801 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 1.5 p -64.97 154.58 37.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 350' ' ' ARG . . . . . 0.86 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 21.4 ttm180 -62.52 -51.52 67.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 351' ' ' GLU . . . . . 0.643 ' HA ' ' HD2' ' A' ' 354' ' ' LYS . 29.4 mm-40 -38.61 -24.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 352' ' ' PHE . . . . . 0.548 ' N ' ' O ' ' A' ' 350' ' ' ARG . 0.3 OUTLIER -88.15 -68.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 353' ' ' LEU . . . . . 0.812 HD11 ' CZ ' ' A' ' 368' ' ' PHE . 0.2 OUTLIER -54.63 -22.67 14.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 354' ' ' LYS . . . . . 0.643 ' HD2' ' HA ' ' A' ' 351' ' ' GLU . 0.1 OUTLIER -85.27 -43.77 13.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 355' ' ' SER . . . . . 0.765 ' O ' HD23 ' A' ' 356' ' ' LEU . 9.6 m -66.88 72.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 356' ' ' LEU . . . . . 0.99 ' HB2' ' CA ' ' A' ' 361' ' ' GLY . 4.1 mt -141.87 -120.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 357' ' ' ARG . . . . . 0.861 ' H ' ' HA3' ' A' ' 361' ' ' GLY . 19.7 ptt180 -124.79 156.2 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 358' ' ' LYS . . . . . 0.821 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -29.06 -64.87 0.17 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 359' ' ' PRO . . . . . 1.161 ' O ' ' N ' ' A' ' 361' ' ' GLY . 18.3 Cg_endo -75.0 172.76 15.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.77 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 360' ' ' PHE . . . . . 0.831 ' O ' ' HB1' ' A' ' 278' ' ' ALA . 0.1 OUTLIER -0.67 44.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 111.023 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 361' ' ' GLY . . . . . 1.161 ' N ' ' O ' ' A' ' 359' ' ' PRO . . . -141.48 -25.07 0.21 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 362' ' ' ASP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 354' ' ' LYS . 0.7 OUTLIER -154.21 48.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 363' ' ' PHE . . . . . 0.99 ' CG ' HD11 ' A' ' 452' ' ' LEU . 5.2 m-85 -129.09 20.73 5.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 364' ' ' MET . . . . . 0.694 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 0.0 OUTLIER -94.2 1.47 56.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 365' ' ' GLU . . . . . 0.86 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 0.1 OUTLIER -61.96 -32.68 10.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.99 -25.08 12.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 367' ' ' LYS . . . . . 0.813 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 2.4 mptt -70.4 -59.28 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 368' ' ' PHE . . . . . 0.812 ' CZ ' HD11 ' A' ' 353' ' ' LEU . 2.4 m-30 -59.63 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -55.27 -45.3 76.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 370' ' ' PHE . . . . . 0.923 ' CZ ' ' HB2' ' A' ' 331' ' ' ALA . 0.1 OUTLIER -50.89 -48.72 60.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 371' ' ' ALA . . . . . 1.036 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -60.1 -47.43 85.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 24.6 t -61.3 -13.26 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.83 -24.44 12.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 374' ' ' PHE . . . . . 0.513 ' HB2' ' CE1' ' A' ' 370' ' ' PHE . 54.9 t80 -90.44 -40.31 12.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 375' ' ' ASN . . . . . 0.542 ' ND2' ' OE1' ' A' ' 378' ' ' GLU . 1.5 m-80 -55.18 -11.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -89.39 31.06 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 379' ' ' LEU . 1.2 pp -168.79 3.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 378' ' ' GLU . . . . . 0.926 ' C ' HD22 ' A' ' 379' ' ' LEU . 87.6 mt-10 -64.69 162.4 15.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.926 HD22 ' C ' ' A' ' 378' ' ' GLU . 3.7 mm? -134.26 -106.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 380' ' ' ASP . . . . . 0.671 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 0.6 OUTLIER -130.26 147.24 51.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 381' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 385' ' ' ALA . 93.6 m-20 -40.65 -29.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 382' ' ' SER . . . . . 1.069 ' HA ' ' CE1' ' A' ' 219' ' ' TYR . 0.1 OUTLIER -51.97 -66.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 383' ' ' ASP . . . . . 0.496 ' OD2' ' CB ' ' A' ' 379' ' ' LEU . 2.5 m-20 -59.74 -28.42 67.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 3.9 mt -74.39 -76.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 385' ' ' ALA . . . . . 1.036 ' HB3' ' CE1' ' A' ' 219' ' ' TYR . . . -32.13 -62.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 390' ' ' VAL . 3.5 mt -40.3 -68.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 387' ' ' PHE . . . . . 0.577 ' N ' HG22 ' A' ' 386' ' ' ILE . 0.2 OUTLIER -33.57 -50.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 388' ' ' ILE . . . . . 0.928 HG12 HG23 ' A' ' 325' ' ' ILE . 0.0 OUTLIER -47.57 -58.46 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 389' ' ' ALA . . . . . 0.58 ' N ' HG22 ' A' ' 388' ' ' ILE . . . -58.62 -28.71 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.988 HG22 ' HB2' ' A' ' 413' ' ' LEU . 4.0 t -78.82 -25.29 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.923 HD13 ' O ' ' A' ' 324' ' ' GLU . 17.5 mt -77.09 -25.15 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 392' ' ' ILE . . . . . 0.975 HD11 HD11 ' A' ' 318' ' ' LEU . 0.8 OUTLIER -83.11 -49.5 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 1.015 HD11 HD11 ' A' ' 309' ' ' LEU . 0.1 OUTLIER -69.22 15.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 394' ' ' SER . . . . . 0.613 ' H ' ' C ' ' A' ' 392' ' ' ILE . 63.6 m -92.39 111.28 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 395' ' ' GLY . . . . . 0.762 ' HA3' HG22 ' A' ' 403' ' ' VAL . . . -82.21 68.31 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 396' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -106.77 -21.57 12.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 397' ' ' ARG . . . . . 0.535 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -66.48 125.66 90.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 6.56 3.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 399' ' ' GLY . . . . . 0.893 ' C ' HG21 ' A' ' 316' ' ' THR . . . -125.81 34.93 3.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.737 HD22 HD23 ' A' ' 317' ' ' LEU . 27.7 mt -92.33 168.86 11.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.846 HD11 ' HB2' ' A' ' 312' ' ' ASN . 25.8 mt -108.4 -64.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 402' ' ' ASN . . . . . 1.282 ' O ' HD13 ' A' ' 406' ' ' ILE . 4.5 m-20 -109.24 93.8 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 403' ' ' VAL . . . . . 0.762 HG22 ' HA3' ' A' ' 395' ' ' GLY . 1.0 OUTLIER -85.59 -5.81 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.54 ' N ' ' CD ' ' A' ' 405' ' ' PRO . 0.0 OUTLIER -81.87 -50.16 0.88 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 405' ' ' PRO . . . . . 0.75 ' CG ' ' HB3' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.0 -19.71 17.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 406' ' ' ILE . . . . . 1.282 HD13 ' O ' ' A' ' 402' ' ' ASN . 0.5 OUTLIER -81.14 -46.84 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -74.49 -18.48 60.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 408' ' ' ASP . . . . . 0.484 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 86.9 m-20 -81.75 -51.05 8.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 409' ' ' ILE . . . . . 0.63 HG22 ' HG ' ' A' ' 393' ' ' LEU . 19.7 mm -61.21 -23.3 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 410' ' ' GLN . . . . . 0.78 ' CB ' ' HB3' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -82.65 -37.53 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.348 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.14 -23.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 412' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.8 OUTLIER -87.66 -56.36 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.988 ' HB2' HG22 ' A' ' 390' ' ' VAL . 1.1 mt -49.68 -40.78 41.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.767 HD12 HG11 ' A' ' 390' ' ' VAL . 7.2 tp -62.19 -53.48 54.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 39.8 mt-30 -46.0 -47.73 16.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.865 ' CB ' HD11 ' A' ' 211' ' ' LEU . . . -54.89 -54.82 37.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 417' ' ' LEU . . . . . 1.007 HD22 ' C ' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -41.14 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 418' ' ' GLU . . . . . 0.919 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.2 OUTLIER -52.14 -28.52 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.82 HD13 ' HG ' ' A' ' 211' ' ' LEU . 3.5 tt -69.16 -77.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 420' ' ' GLN . . . . . 0.73 ' N ' HD23 ' A' ' 419' ' ' LEU . 0.0 OUTLIER -53.73 -8.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 431' ' ' LEU . 0.6 OUTLIER -89.52 -46.45 8.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 422' ' ' LYS . . . . . 0.754 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 1.5 mmtt -79.39 6.03 11.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.601 HD11 ' HG ' ' A' ' 419' ' ' LEU . 10.5 mt -119.08 -39.37 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.663 ' OD1' ' CD2' ' A' ' 425' ' ' HIS . 45.0 p-10 -82.6 -13.09 57.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.663 ' CD2' ' OD1' ' A' ' 424' ' ' ASN . 13.9 p80 177.33 71.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.754 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.1 Cg_endo -75.02 140.96 26.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -129.36 13.97 6.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.88 67.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 13.9 t -166.71 -142.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 430' ' ' GLN . . . . . 0.706 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -113.64 30.08 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 431' ' ' LEU . . . . . 0.656 ' HB3' HD21 ' A' ' 421' ' ' LEU . 20.1 tp -37.41 -31.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 432' ' ' PHE . . . . . 0.857 ' CD1' HD11 ' A' ' 417' ' ' LEU . 0.2 OUTLIER -85.99 -50.3 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 433' ' ' ALA . . . . . 0.706 ' HB3' ' HB2' ' A' ' 430' ' ' GLN . . . -48.19 -21.84 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 434' ' ' LYS . . . . . 0.545 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.5 OUTLIER -96.91 -48.15 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 435' ' ' LEU . . . . . 0.605 HD12 ' CD1' ' A' ' 421' ' ' LEU . 0.5 OUTLIER -39.8 -37.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.799 HD23 ' CE1' ' A' ' 432' ' ' PHE . 2.6 pp -77.75 -45.38 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 437' ' ' GLN . . . . . 0.675 ' O ' HG23 ' A' ' 440' ' ' THR . 1.0 OUTLIER -48.18 -12.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 440' ' ' THR . 0.1 OUTLIER -52.89 -22.46 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 439' ' ' MET . . . . . 0.648 ' HA ' ' HB2' ' A' ' 442' ' ' LEU . 0.0 OUTLIER -31.1 -33.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 437' ' ' GLN . 71.8 p -35.03 -100.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.747 ' O ' ' CD1' ' A' ' 445' ' ' ILE . 0.0 OUTLIER -52.02 -22.83 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 442' ' ' LEU . . . . . 0.982 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 0.1 OUTLIER -64.63 -86.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 443' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 439' ' ' MET . 2.6 ttt180 -53.48 -9.7 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.771 ' O ' HG22 ' A' ' 447' ' ' THR . 5.0 mm-40 -70.98 -88.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.747 ' CD1' ' O ' ' A' ' 441' ' ' ASP . 0.0 OUTLIER -36.99 -46.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 447' ' ' THR . 2.5 t -48.17 -69.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 447' ' ' THR . . . . . 0.771 HG22 ' O ' ' A' ' 444' ' ' GLN . 14.5 t -51.2 -19.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -53.56 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 449' ' ' HIS . . . . . 0.69 ' CE1' HG23 ' A' ' 450' ' ' VAL . 0.0 OUTLIER -44.01 -33.95 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.603 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 450' ' ' VAL . . . . . 0.69 HG23 ' CE1' ' A' ' 449' ' ' HIS . 39.6 t -83.57 -51.22 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 451' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -23.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.99 HD11 ' CG ' ' A' ' 363' ' ' PHE . 11.0 mt -85.4 -72.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.525 ' HA ' HG22 ' A' ' 456' ' ' ILE . 0.2 OUTLIER -57.8 -16.75 12.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 454' ' ' GLN . . . . . 0.615 ' N ' ' O ' ' A' ' 450' ' ' VAL . 11.6 tt0 -80.07 -56.55 4.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 455' ' ' VAL . 48.3 t -70.6 -0.21 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' ILE . . . . . 0.827 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -107.22 -60.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 457' ' ' LYS . . . . . 0.623 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 3.1 pttt -45.41 -24.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 1.1 mmmm -99.51 -39.36 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.19 47.19 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.827 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.2 mm-40 -42.68 132.25 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.524 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -37.07 -30.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.369 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 462' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 461' ' ' THR . 2.1 t70 168.2 59.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 463' ' ' MET . . . . . 0.448 ' O ' ' CB ' ' A' ' 464' ' ' SER . 7.2 ttt 61.35 131.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 464' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 463' ' ' MET . 0.5 OUTLIER 163.76 83.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.76 HD23 ' C ' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -166.23 167.13 16.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 466' ' ' HIS . . . . . 0.976 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 32.2 p80 -116.81 -176.0 0.35 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 467' ' ' PRO . . . . . 0.976 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.91 -53.42 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.43 ' O ' ' CG1' ' A' ' 472' ' ' ILE . 10.3 mt -56.42 -8.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 469' ' ' LEU . . . . . 0.615 ' HG ' HD12 ' A' ' 465' ' ' LEU . 2.0 tp -87.73 -56.04 3.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.26 -29.83 67.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 471' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 467' ' ' PRO . 39.7 mt-10 -72.79 -69.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 472' ' ' ILE . . . . . 0.798 HD12 ' N ' ' A' ' 473' ' ' TYR . 2.6 pp -37.92 -57.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 473' ' ' TYR . . . . . 0.798 ' N ' HD12 ' A' ' 472' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 210' ' ' ASP . . . . . 0.61 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.971 HD21 ' HB3' ' A' ' 415' ' ' GLN . 0.1 OUTLIER -40.14 -54.37 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 212' ' ' ARG . . . . . 0.468 ' NH1' ' HB2' ' A' ' 420' ' ' GLN . 3.0 tpm_? -73.8 -27.15 60.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 213' ' ' ALA . . . . . 0.61 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -67.54 -57.06 7.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 214' ' ' LEU . . . . . 0.494 ' O ' ' HB3' ' A' ' 217' ' ' HIS . 0.5 OUTLIER -46.43 -45.87 18.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -46.61 -61.68 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 216' ' ' LYS . . . . . 0.564 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -45.43 -32.1 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 217' ' ' HIS . . . . . 0.592 ' HA ' ' HB2' ' A' ' 220' ' ' ASP . 57.0 t60 -71.69 -67.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.633 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 1.004 HD12 HG23 ' A' ' 386' ' ' ILE . 2.9 mt -38.46 -57.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 219' ' ' TYR . . . . . 0.631 ' CD2' ' CB ' ' A' ' 385' ' ' ALA . 4.7 t80 -67.88 -27.59 66.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 220' ' ' ASP . . . . . 0.86 ' O ' HG22 ' A' ' 223' ' ' ILE . 0.4 OUTLIER -60.09 -74.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 221' ' ' SER . . . . . 0.588 ' CB ' ' HB3' ' A' ' 302' ' ' SER . 13.3 t -54.89 -25.36 28.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 222' ' ' TYR . . . . . 0.87 ' CD1' ' CD2' ' A' ' 299' ' ' TYR . 0.7 OUTLIER -78.1 -47.02 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 223' ' ' ILE . . . . . 1.162 ' O ' HD13 ' A' ' 223' ' ' ILE . 0.0 OUTLIER -56.87 -12.48 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 224' ' ' LYS . . . . . 0.619 ' HD2' HG23 ' A' ' 223' ' ' ILE . 2.8 mptp? -95.9 -42.12 8.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 225' ' ' SER . . . . . 0.598 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 34.4 t -58.0 -80.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 226' ' ' PHE . . . . . 0.844 ' CE1' ' CE1' ' A' ' 222' ' ' TYR . 0.7 OUTLIER -112.46 110.54 52.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -30.09 7.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 340' ' ' LEU . 0.0 OUTLIER -63.69 114.35 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 229' ' ' THR . . . . . 0.549 HG22 ' CZ ' ' A' ' 226' ' ' PHE . 34.0 p -133.34 -165.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 230' ' ' LYS . . . . . 0.767 ' HD3' ' CD1' ' A' ' 384' ' ' LEU . 3.4 mtmm -77.43 -24.45 50.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 231' ' ' ALA . . . . . 0.536 ' HB3' ' OD2' ' A' ' 381' ' ' ASP . . . -78.78 -41.43 30.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 232' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 235' ' ' ALA . 0.8 OUTLIER -72.05 -42.33 66.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 233' ' ' ALA . . . . . 1.081 ' HB1' HD23 ' A' ' 340' ' ' LEU . . . -64.69 -47.81 77.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.879 ' NH1' HD22 ' A' ' 237' ' ' LEU . 0.0 OUTLIER -73.13 -2.7 22.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 235' ' ' ALA . . . . . 0.929 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -81.25 -69.66 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.433 HG13 ' HB3' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -59.3 -38.09 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 237' ' ' LEU . . . . . 0.879 HD22 ' NH1' ' A' ' 234' ' ' ARG . 0.1 OUTLIER -57.22 -36.25 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 238' ' ' THR . . . . . 0.648 ' O ' ' C ' ' A' ' 239' ' ' GLY . 1.1 t -152.03 -39.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 239' ' ' GLY . . . . . 0.929 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 246' ' ' PRO . . . . . 0.683 ' C ' ' HA2' ' A' ' 346' ' ' GLY . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 247' ' ' PHE . . . . . 0.742 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -1.06 71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 0.964 HG23 ' CZ ' ' A' ' 347' ' ' PHE . 8.8 p -55.35 144.25 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 249' ' ' ILE . . . . . 0.7 ' O ' HG23 ' A' ' 349' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 276' ' ' GLU . . . . . 0.865 ' OE1' ' HB3' ' A' ' 278' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 277' ' ' VAL . . . . . 0.697 HG12 ' CD2' ' A' ' 356' ' ' LEU . 61.4 t -39.1 -42.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 278' ' ' ALA . . . . . 0.865 ' HB3' ' OE1' ' A' ' 276' ' ' GLU . . . -60.69 -81.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 0.654 HD11 ' HA ' ' A' ' 465' ' ' LEU . 0.4 OUTLIER -23.55 -39.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 280' ' ' ARG . . . . . 0.727 ' N ' ' O ' ' A' ' 278' ' ' ALA . 7.8 mtp180 -77.53 -64.9 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 281' ' ' ILE . . . . . 1.014 HD11 ' CE2' ' A' ' 352' ' ' PHE . 0.2 OUTLIER -62.5 -43.31 98.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 282' ' ' PHE . . . . . 0.816 ' CD1' ' CE1' ' A' ' 360' ' ' PHE . 0.1 OUTLIER -49.91 -51.32 41.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 283' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 0.0 OUTLIER -58.03 -34.43 70.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 284' ' ' GLY . . . . . 0.505 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -85.49 -53.99 2.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 285' ' ' CYS . . . . . 0.634 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.7 OUTLIER -47.9 -18.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 286' ' ' GLN . . . . . 0.505 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -110.13 -27.7 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 287' ' ' PHE . . . . . 0.661 ' CE1' ' CG ' ' A' ' 291' ' ' GLU . 11.9 t80 -51.01 -31.36 17.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -22.61 64.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 12.0 t -89.3 -56.14 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 290' ' ' VAL . . . . . 0.59 HG22 ' HA ' ' A' ' 287' ' ' PHE . 2.8 m -54.05 -20.17 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 291' ' ' GLU . . . . . 0.661 ' CG ' ' CE1' ' A' ' 287' ' ' PHE . 29.4 mt-10 -83.05 -61.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 292' ' ' ALA . . . . . 0.904 ' O ' HD12 ' A' ' 296' ' ' ILE . . . -33.62 -58.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 293' ' ' VAL . . . . . 0.48 HG13 ' HG2' ' A' ' 294' ' ' GLN . 2.5 p -41.93 -45.29 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 294' ' ' GLN . . . . . 0.598 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.0 mt-30 -71.5 -27.57 63.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 295' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.6 mt-10 -77.7 -56.97 4.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 296' ' ' ILE . . . . . 0.904 HD12 ' O ' ' A' ' 292' ' ' ALA . 3.6 mp -41.83 -67.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 297' ' ' THR . . . . . 0.449 ' C ' ' N ' ' A' ' 299' ' ' TYR . 0.9 OUTLIER -40.22 -63.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.39 -25.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 299' ' ' TYR . . . . . 0.87 ' CD2' ' CD1' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -103.41 -55.53 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.958 ' HB1' ' CD2' ' A' ' 306' ' ' PHE . . . -35.01 -49.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 301' ' ' LYS . . . . . 0.585 ' HA ' HG22 ' A' ' 307' ' ' VAL . 58.5 mttt -35.41 -8.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 302' ' ' SER . . . . . 0.955 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -68.36 -50.85 50.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 303' ' ' ILE . . . . . 0.853 HG21 HD21 ' A' ' 413' ' ' LEU . 0.0 OUTLIER -58.3 127.69 81.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 16.99 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 305' ' ' GLY . . . . . 0.602 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -132.3 -24.71 0.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.958 ' CD2' ' HB1' ' A' ' 300' ' ' ALA . 12.0 t80 -58.42 -60.77 3.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 0.755 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 307' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -69.08 -20.37 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -74.03 -13.46 60.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.775 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.6 mt -68.59 -111.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 310' ' ' ASP . . . . . 0.67 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -139.71 151.84 46.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 311' ' ' LEU . . . . . 0.502 HD23 ' H ' ' A' ' 311' ' ' LEU . 0.1 OUTLIER -53.61 -46.19 70.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 312' ' ' ASN . . . . . 0.863 ' O ' ' N ' ' A' ' 316' ' ' THR . 5.6 m120 -82.35 -59.66 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 313' ' ' ASP . . . . . 1.047 ' OD1' HD11 ' A' ' 406' ' ' ILE . 44.5 t0 -31.92 -52.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 314' ' ' GLN . . . . . 0.684 ' HA ' HD21 ' A' ' 317' ' ' LEU . 5.1 mt-30 -59.78 -53.45 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 315' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 312' ' ' ASN . 91.2 t -71.95 -33.59 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 316' ' ' THR . . . . . 1.112 HG22 ' O ' ' A' ' 399' ' ' GLY . 19.2 m -65.03 -54.56 28.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 317' ' ' LEU . . . . . 0.743 ' HB3' HD22 ' A' ' 400' ' ' LEU . 4.2 pp -52.8 -47.74 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 318' ' ' LEU . . . . . 0.778 HD23 ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -63.98 -43.07 96.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.36 -28.17 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 320' ' ' TYR . . . . . 0.416 ' O ' ' OD2' ' A' ' 396' ' ' ASP . 2.1 m-85 -122.08 3.5 9.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 321' ' ' GLY . . . . . 0.699 ' O ' HD12 ' A' ' 325' ' ' ILE . . . -115.17 -48.53 0.52 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 322' ' ' VAL . . . . . 1.032 HG22 ' CD1' ' A' ' 326' ' ' ILE . 4.7 p -35.43 -31.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 323' ' ' HIS . . . . . 0.998 ' ND1' HG21 ' A' ' 446' ' ' VAL . 0.0 OUTLIER -63.13 -57.41 10.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.563 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 324' ' ' GLU . . . . . 0.657 ' CG ' ' CE1' ' A' ' 323' ' ' HIS . 80.0 mt-10 -64.16 2.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 325' ' ' ILE . . . . . 0.776 HD13 ' CD1' ' A' ' 392' ' ' ILE . 2.3 mp -110.51 -47.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 326' ' ' ILE . . . . . 1.032 ' CD1' HG22 ' A' ' 322' ' ' VAL . 4.9 mt -74.67 -40.37 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 1.083 ' CD2' HG22 ' A' ' 446' ' ' VAL . 9.5 m-85 -76.02 -15.53 60.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 328' ' ' THR . . . . . 0.904 ' HA ' HD21 ' A' ' 442' ' ' LEU . 0.7 OUTLIER -72.2 -56.8 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.453 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.579 ' N ' ' CG2' ' A' ' 328' ' ' THR . 7.8 ptp -89.47 -12.76 39.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.629 ' CB ' ' O ' ' A' ' 326' ' ' ILE . 1.6 mt -49.4 -53.66 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 331' ' ' ALA . . . . . 0.858 ' HB1' ' HA ' ' A' ' 371' ' ' ALA . . . -34.64 -52.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 332' ' ' SER . . . . . 0.65 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 6.0 m -59.75 -45.65 91.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.917 HD13 ' HB2' ' A' ' 233' ' ' ALA . 3.7 mm? -58.72 -13.94 7.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 334' ' ' MET . . . . . 0.728 ' CE ' ' HB3' ' A' ' 367' ' ' LYS . 2.0 mmt -76.58 173.0 12.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 335' ' ' ASN . . . . . 0.761 ' HA ' HD21 ' A' ' 237' ' ' LEU . 0.1 OUTLIER -141.46 9.55 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 336' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER 80.41 -41.32 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 337' ' ' ASP . . . . . 0.453 ' C ' ' H ' ' A' ' 350' ' ' ARG . 0.1 OUTLIER -125.24 10.34 8.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 338' ' ' GLY . . . . . 0.713 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -171.21 173.41 44.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 339' ' ' VAL . . . . . 0.641 ' O ' ' HB2' ' A' ' 347' ' ' PHE . 3.8 p -136.44 151.54 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 1.081 HD23 ' HB1' ' A' ' 233' ' ' ALA . 0.4 OUTLIER -69.43 124.33 23.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 341' ' ' ILE . . . . . 0.695 HG23 ' HA ' ' A' ' 347' ' ' PHE . 1.3 pt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 346' ' ' GLY . . . . . 0.742 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 0.964 ' CZ ' HG23 ' A' ' 248' ' ' VAL . 0.1 OUTLIER -177.68 138.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.668 ' HE2' HG21 ' A' ' 249' ' ' ILE . 11.4 ttm -93.42 121.88 35.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 349' ' ' THR . . . . . 0.788 HG22 ' CE1' ' A' ' 347' ' ' PHE . 1.6 p -71.32 153.65 42.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.407 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 350' ' ' ARG . . . . . 0.88 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 7.8 ttm180 -63.83 -55.84 19.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 351' ' ' GLU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 0.0 OUTLIER -35.84 -25.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 352' ' ' PHE . . . . . 1.014 ' CE2' HD11 ' A' ' 281' ' ' ILE . 1.8 t80 -89.63 -51.47 5.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 353' ' ' LEU . . . . . 0.889 ' O ' ' O ' ' A' ' 361' ' ' GLY . 0.2 OUTLIER -67.19 -21.87 65.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 354' ' ' LYS . . . . . 0.856 ' HA ' ' O ' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -91.84 -33.62 14.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 355' ' ' SER . . . . . 1.045 ' O ' HD23 ' A' ' 356' ' ' LEU . 9.2 t -70.42 73.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 356' ' ' LEU . . . . . 1.045 HD23 ' O ' ' A' ' 355' ' ' SER . 0.2 OUTLIER -152.3 -152.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 357' ' ' ARG . . . . . 0.656 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -69.32 153.52 43.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 358' ' ' LYS . . . . . 0.808 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.81 -55.45 1.23 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 359' ' ' PRO . . . . . 0.808 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.4 Cg_endo -74.97 -84.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 360' ' ' PHE . . . . . 0.816 ' CE1' ' CD1' ' A' ' 282' ' ' PHE . 0.5 OUTLIER -63.55 32.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 361' ' ' GLY . . . . . 1.003 ' HA2' ' HB2' ' A' ' 356' ' ' LEU . . . -87.39 -43.34 5.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 362' ' ' ASP . . . . . 0.61 ' CA ' ' HA ' ' A' ' 354' ' ' LYS . 7.1 p-10 -148.96 96.88 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 363' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -103.25 0.06 31.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 110.983 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 364' ' ' MET . . . . . 0.537 ' HG2' ' CE1' ' A' ' 363' ' ' PHE . 0.2 OUTLIER -121.24 -5.8 9.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 365' ' ' GLU . . . . . 0.88 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 2.4 tp10 -65.12 -41.23 51.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -75.02 -24.96 12.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 367' ' ' LYS . . . . . 0.728 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 0.0 OUTLIER -76.5 -33.91 58.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 368' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 339' ' ' VAL . 6.7 m-30 -68.71 -53.94 19.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.23 -46.99 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 370' ' ' PHE . . . . . 0.838 ' CG ' HD11 ' A' ' 445' ' ' ILE . 2.1 m-85 -61.02 -38.23 85.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 371' ' ' ALA . . . . . 0.858 ' HA ' ' HB1' ' A' ' 331' ' ' ALA . . . -59.6 -46.19 89.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 372' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 336' ' ' LYS . 30.7 t -67.39 -9.07 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 373' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -104.14 -27.8 11.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 374' ' ' PHE . . . . . 0.635 ' CZ ' ' CG ' ' A' ' 441' ' ' ASP . 0.1 OUTLIER -92.17 -35.6 13.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 375' ' ' ASN . . . . . 0.4 ' C ' ' H ' ' A' ' 377' ' ' LEU . 1.0 OUTLIER -49.7 -15.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.487 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -84.98 31.19 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 0.8 OUTLIER -174.69 4.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 378' ' ' GLU . . . . . 0.502 ' HB3' ' HE3' ' A' ' 230' ' ' LYS . 1.8 mt-10 -78.37 134.49 37.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 1.061 HD11 ' CD1' ' A' ' 435' ' ' LEU . 0.3 OUTLIER -84.69 -148.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 380' ' ' ASP . . . . . 0.471 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 54.3 p30 -110.14 148.07 32.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 381' ' ' ASP . . . . . 0.536 ' OD2' ' HB3' ' A' ' 231' ' ' ALA . 0.5 OUTLIER -41.91 -26.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 382' ' ' SER . . . . . 0.482 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 0.1 OUTLIER -60.39 -55.87 28.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 383' ' ' ASP . . . . . 0.497 ' OD1' ' ND2' ' A' ' 424' ' ' ASN . 3.1 m-20 -71.91 -17.64 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.767 ' CD1' ' HD3' ' A' ' 230' ' ' LYS . 6.5 mt -84.88 -49.72 8.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 385' ' ' ALA . . . . . 0.634 ' HA ' ' CE2' ' A' ' 222' ' ' TYR . . . -36.97 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 1.004 HG23 HD12 ' A' ' 218' ' ' LEU . 1.8 mt -92.88 -39.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 387' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 384' ' ' LEU . 26.4 t80 -41.55 -42.33 2.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 388' ' ' ILE . . . . . 0.813 HD11 HG12 ' A' ' 296' ' ' ILE . 12.7 tt -44.11 -61.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 389' ' ' ALA . . . . . 0.895 ' CB ' HD13 ' A' ' 413' ' ' LEU . . . -60.47 -28.23 68.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.582 ' HA ' ' CD ' ' A' ' 410' ' ' GLN . 76.4 t -69.7 -14.94 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.626 HG22 ' CD1' ' A' ' 325' ' ' ILE . 2.0 mm -119.87 5.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 392' ' ' ILE . . . . . 0.776 ' CD1' HD13 ' A' ' 325' ' ' ILE . 0.0 OUTLIER -116.43 -62.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.874 ' CB ' ' HG3' ' A' ' 410' ' ' GLN . 0.7 OUTLIER -65.24 24.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 394' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 392' ' ' ILE . 1.3 m -121.91 144.92 48.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 395' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 396' ' ' ASP . . . -64.63 63.47 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 396' ' ' ASP . . . . . 0.625 ' C ' ' HE ' ' A' ' 397' ' ' ARG . 1.0 OUTLIER -36.0 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 397' ' ' ARG . . . . . 0.806 ' CB ' ' CD ' ' A' ' 398' ' ' PRO . 0.0 OUTLIER -149.36 -165.16 0.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 398' ' ' PRO . . . . . 0.806 ' CD ' ' CB ' ' A' ' 397' ' ' ARG . 18.2 Cg_endo -75.01 40.29 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 399' ' ' GLY . . . . . 1.112 ' O ' HG22 ' A' ' 316' ' ' THR . . . -127.18 55.02 0.76 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.783 ' O ' HD23 ' A' ' 401' ' ' LEU . 0.2 OUTLIER -148.74 -177.4 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.783 HD23 ' O ' ' A' ' 400' ' ' LEU . 14.6 mt -125.01 -58.14 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 402' ' ' ASN . . . . . 0.745 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 4.5 m-20 -106.66 84.39 2.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 403' ' ' VAL . . . . . 0.818 ' HA ' HD12 ' A' ' 406' ' ' ILE . 1.2 t -76.13 -16.75 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.708 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.5 OUTLIER -67.78 -52.75 24.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 405' ' ' PRO . . . . . 0.745 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -74.99 -17.83 19.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 406' ' ' ILE . . . . . 1.047 HD11 ' OD1' ' A' ' 313' ' ' ASP . 68.6 mt -69.04 -85.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 407' ' ' GLU . . . . . 0.485 ' N ' HG22 ' A' ' 406' ' ' ILE . 3.6 tt0 -49.08 -18.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 408' ' ' ASP . . . . . 0.708 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 16.3 m-20 -76.28 -62.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 409' ' ' ILE . . . . . 0.723 HG22 ' HG ' ' A' ' 393' ' ' LEU . 20.1 mm -52.6 -27.95 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 410' ' ' GLN . . . . . 0.874 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -71.17 -42.12 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 411' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 410' ' ' GLN . 7.4 t70 -35.34 -33.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 412' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 410' ' ' GLN . 1.6 t30 -87.29 -50.17 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.895 HD13 ' CB ' ' A' ' 389' ' ' ALA . 1.2 mt -55.92 -40.11 72.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.897 HD23 HD12 ' A' ' 417' ' ' LEU . 0.7 OUTLIER -60.66 -47.27 86.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.971 ' HB3' HD21 ' A' ' 211' ' ' LEU . 41.1 mt-30 -52.36 -66.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.547 ' HA ' ' CD1' ' A' ' 211' ' ' LEU . . . -44.85 -45.43 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 417' ' ' LEU . . . . . 1.005 HD22 ' C ' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -49.0 -80.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 418' ' ' GLU . . . . . 0.903 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.2 OUTLIER -54.75 -25.33 27.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.936 HD13 ' HG ' ' A' ' 211' ' ' LEU . 0.6 OUTLIER -67.93 -77.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 420' ' ' GLN . . . . . 0.6 HE21 ' ND2' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -43.85 -28.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.979 HD11 HD11 ' A' ' 431' ' ' LEU . 0.0 OUTLIER -83.02 -41.37 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 422' ' ' LYS . . . . . 0.66 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 6.1 ttmt -78.58 8.38 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.807 HD11 ' HG ' ' A' ' 419' ' ' LEU . 17.5 mt -120.04 -43.96 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.662 ' OD1' ' CD2' ' A' ' 425' ' ' HIS . 49.4 p-10 -78.64 -12.82 60.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.662 ' CD2' ' OD1' ' A' ' 424' ' ' ASN . 28.3 p80 174.93 74.63 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.605 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.66 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.99 162.82 36.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -141.15 -85.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 428' ' ' SER . . . . . 0.472 ' O ' ' CE ' ' A' ' 422' ' ' LYS . 0.1 OUTLIER -120.67 -157.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 429' ' ' SER . . . . . 0.46 ' C ' ' N ' ' A' ' 431' ' ' LEU . 0.6 OUTLIER -92.58 155.54 17.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 110.011 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 430' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 433' ' ' ALA . 0.0 OUTLIER 42.55 23.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.255 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 431' ' ' LEU . . . . . 0.979 HD11 HD11 ' A' ' 421' ' ' LEU . 0.0 OUTLIER -42.93 -27.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 432' ' ' PHE . . . . . 0.86 ' HB2' HD11 ' A' ' 417' ' ' LEU . 34.0 p90 -86.92 -38.95 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 433' ' ' ALA . . . . . 0.622 ' HA ' HD21 ' A' ' 436' ' ' LEU . . . -45.84 -27.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 434' ' ' LYS . . . . . 0.522 ' CD ' ' N ' ' A' ' 435' ' ' LEU . 0.0 OUTLIER -99.45 -47.26 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 435' ' ' LEU . . . . . 1.061 ' CD1' HD11 ' A' ' 379' ' ' LEU . 0.3 OUTLIER -47.14 -33.95 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.622 HD21 ' HA ' ' A' ' 433' ' ' ALA . 4.2 pp -75.49 -45.76 36.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 437' ' ' GLN . . . . . 0.538 ' C ' ' HG3' ' A' ' 439' ' ' MET . 2.4 mt-30 -48.61 -11.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.569 ' O ' ' N ' ' A' ' 440' ' ' THR . 0.0 OUTLIER -49.39 -25.73 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 439' ' ' MET . . . . . 0.619 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -24.18 -44.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 438' ' ' LYS . 64.1 p -33.85 -78.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.382 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.757 ' O ' HG13 ' A' ' 445' ' ' ILE . 0.0 OUTLIER -57.75 -21.66 42.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 442' ' ' LEU . . . . . 0.904 HD21 ' HA ' ' A' ' 328' ' ' THR . 0.2 OUTLIER -72.85 -73.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 443' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 439' ' ' MET . 0.1 OUTLIER -57.24 -10.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.757 ' O ' HG22 ' A' ' 447' ' ' THR . 2.3 mm100 -74.75 -71.04 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.838 HD11 ' CG ' ' A' ' 370' ' ' PHE . 0.1 OUTLIER -50.01 -29.88 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 1.083 HG22 ' CD2' ' A' ' 327' ' ' TYR . 26.3 t -67.86 -65.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 444' ' ' GLN . 9.0 t -47.74 -23.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -53.18 6.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 449' ' ' HIS . . . . . 0.751 ' O ' HD23 ' A' ' 453' ' ' LEU . 0.1 OUTLIER -48.63 -28.14 3.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 450' ' ' VAL . . . . . 0.691 ' O ' ' N ' ' A' ' 454' ' ' GLN . 34.1 t -86.53 -50.64 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 451' ' ' GLN . . . . . 0.573 ' O ' HG23 ' A' ' 455' ' ' VAL . 0.3 OUTLIER -42.99 -26.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.69 HD22 ' HA ' ' A' ' 359' ' ' PRO . 8.3 mt -87.69 -68.09 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.916 HD12 ' HE2' ' A' ' 457' ' ' LYS . 1.3 pp -59.9 -14.44 15.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 454' ' ' GLN . . . . . 0.691 ' N ' ' O ' ' A' ' 450' ' ' VAL . 2.0 tt0 -85.03 -48.87 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 451' ' ' GLN . 75.6 t -73.02 -6.0 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 456' ' ' ILE . . . . . 1.015 ' O ' ' N ' ' A' ' 460' ' ' GLU . 1.4 tp -102.84 -61.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 457' ' ' LYS . . . . . 0.916 ' HE2' HD12 ' A' ' 453' ' ' LEU . 0.1 OUTLIER -41.37 -37.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 458' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 8.8 mmmt -83.82 -41.52 17.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 459' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 459' ' ' THR . 2.2 m -124.18 43.36 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.38 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 1.015 ' N ' ' O ' ' A' ' 456' ' ' ILE . 8.6 mm-40 -41.78 131.29 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.443 ' H ' HD11 ' A' ' 456' ' ' ILE . 0.4 OUTLIER -39.96 -28.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 462' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 460' ' ' GLU . 2.0 t70 173.25 68.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 56.2 tpp 62.15 145.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 464' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 460' ' ' GLU . 46.3 t -158.5 151.7 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.902 HD23 HD13 ' A' ' 469' ' ' LEU . 0.2 OUTLIER 38.28 -117.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 466' ' ' HIS . . . . . 0.907 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 10.2 p80 -162.51 -175.58 0.5 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 467' ' ' PRO . . . . . 0.907 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.2 Cg_endo -75.01 -47.91 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.636 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 0.7 OUTLIER -44.07 -19.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 469' ' ' LEU . . . . . 0.902 HD13 HD23 ' A' ' 465' ' ' LEU . 0.1 OUTLIER -87.59 -57.2 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -48.32 -27.79 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -75.36 -50.89 14.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 472' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 0.9 OUTLIER -48.18 -59.41 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 473' ' ' TYR . . . . . 0.534 ' CE2' ' HE3' ' A' ' 457' ' ' LYS . 1.9 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 210' ' ' ASP . . . . . 0.61 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 7.6 p30 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.85 ' CB ' HD21 ' A' ' 419' ' ' LEU . 0.1 OUTLIER -46.92 -77.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 212' ' ' ARG . . . . . 0.666 ' NH1' HD11 ' A' ' 211' ' ' LEU . 0.0 OUTLIER -75.03 -23.23 58.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 213' ' ' ALA . . . . . 0.61 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -74.07 -78.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 214' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 218' ' ' LEU . 15.9 tp -44.22 -47.48 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 215' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 211' ' ' LEU . . . -43.85 -71.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 216' ' ' LYS . . . . . 0.522 ' HE2' ' CA ' ' A' ' 216' ' ' LYS . 0.0 OUTLIER -37.51 -33.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 217' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 215' ' ' ALA . 28.9 t60 -85.05 -69.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.937 HD12 ' HA ' ' A' ' 386' ' ' ILE . 0.3 OUTLIER -38.71 -50.65 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 219' ' ' TYR . . . . . 1.02 ' CE2' ' HA ' ' A' ' 382' ' ' SER . 10.9 m-85 -68.3 -40.04 81.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 220' ' ' ASP . . . . . 0.515 ' O ' ' CD ' ' A' ' 224' ' ' LYS . 3.6 m-20 -56.66 -72.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 221' ' ' SER . . . . . 0.7 ' OG ' ' CD1' ' A' ' 299' ' ' TYR . 78.4 p -53.67 -24.53 14.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.093 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 222' ' ' TYR . . . . . 0.86 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 29.2 t80 -77.49 -52.06 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 223' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 219' ' ' TYR . 1.3 mp -48.66 -13.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 224' ' ' LYS . . . . . 0.522 ' N ' ' C ' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -97.24 -47.27 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 225' ' ' SER . . . . . 0.991 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 9.5 t -43.57 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 226' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.2 120.03 25.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 227' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.1 Cg_endo -75.02 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.647 HD11 ' HG ' ' A' ' 340' ' ' LEU . 0.1 OUTLIER -61.72 73.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 229' ' ' THR . . . . . 0.649 HG22 ' OH ' ' A' ' 222' ' ' TYR . 7.1 p -83.08 -164.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 230' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -72.12 -28.19 63.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 231' ' ' ALA . . . . . 0.572 ' HB3' ' OD2' ' A' ' 381' ' ' ASP . . . -77.29 -41.57 40.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 232' ' ' LYS . . . . . 0.501 ' O ' ' CD1' ' A' ' 236' ' ' ILE . 2.1 mttm -72.99 -39.59 65.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 233' ' ' ALA . . . . . 0.552 ' HB1' HD23 ' A' ' 340' ' ' LEU . . . -67.68 -46.89 71.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.758 HH12 HD22 ' A' ' 237' ' ' LEU . 0.0 OUTLIER -75.21 -1.58 23.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 235' ' ' ALA . . . . . 0.938 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -82.11 -65.22 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.623 ' HB ' ' HB3' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -63.41 -42.99 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 237' ' ' LEU . . . . . 0.83 ' CD1' HD21 ' A' ' 340' ' ' LEU . 0.1 OUTLIER -47.89 -26.61 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 238' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.32 -28.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.425 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 239' ' ' GLY . . . . . 0.938 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 246' ' ' PRO . . . . . 0.704 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.978 -0.431 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 247' ' ' PHE . . . . . 0.726 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -7.6 73.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 0.957 HG23 ' CZ ' ' A' ' 347' ' ' PHE . 7.3 p -57.23 106.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 249' ' ' ILE . . . . . 0.59 HG21 HD11 ' A' ' 341' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 276' ' ' GLU . . . . . 0.639 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 277' ' ' VAL . . . . . 0.497 ' N ' ' HG3' ' A' ' 276' ' ' GLU . 4.1 t -42.08 -43.96 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 278' ' ' ALA . . . . . 0.671 ' O ' ' C ' ' A' ' 279' ' ' ILE . . . -70.06 -78.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 0.792 HD11 ' N ' ' A' ' 465' ' ' LEU . 2.7 mm -13.19 -60.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 280' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -62.51 -65.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 281' ' ' ILE . . . . . 0.568 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.2 OUTLIER -59.23 -56.54 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 282' ' ' PHE . . . . . 0.822 ' CD1' ' CD2' ' A' ' 360' ' ' PHE . 79.1 t80 -42.1 -46.05 4.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 283' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 0.7 OUTLIER -60.13 -37.64 80.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.259 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 284' ' ' GLY . . . . . 0.454 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -83.13 -55.34 2.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 285' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.5 OUTLIER -53.56 -15.84 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 286' ' ' GLN . . . . . 0.454 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.2 OUTLIER -108.93 -26.09 10.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 287' ' ' PHE . . . . . 0.682 ' O ' HG22 ' A' ' 290' ' ' VAL . 54.5 t80 -47.56 -48.01 28.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -22.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 289' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 287' ' ' PHE . 2.8 t -84.06 -55.31 4.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 290' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.7 m -49.76 -25.86 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 291' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' A' ' 294' ' ' GLN . 51.6 mt-10 -76.91 -60.41 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 292' ' ' ALA . . . . . 0.883 ' O ' HD12 ' A' ' 296' ' ' ILE . . . -34.59 -56.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 79.8 t -39.81 -44.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 294' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.6 -26.86 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.257 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 295' ' ' GLU . . . . . 0.635 ' N ' ' O ' ' A' ' 292' ' ' ALA . 7.5 mt-10 -76.56 -49.4 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 296' ' ' ILE . . . . . 0.883 HD12 ' O ' ' A' ' 292' ' ' ALA . 3.9 mp -50.04 -68.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.362 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 297' ' ' THR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -36.49 -63.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.406 ' N ' HG22 ' A' ' 297' ' ' THR . 0.2 OUTLIER -44.01 -26.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 299' ' ' TYR . . . . . 0.991 ' HB2' ' HB2' ' A' ' 225' ' ' SER . 1.0 OUTLIER -106.34 -32.91 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 110.966 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.778 ' N ' ' O ' ' A' ' 296' ' ' ILE . . . -59.82 -58.92 6.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 301' ' ' LYS . . . . . 0.688 ' HA ' HG22 ' A' ' 307' ' ' VAL . 82.6 mttt -49.81 -5.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 302' ' ' SER . . . . . 0.674 ' HB3' ' O ' ' A' ' 299' ' ' TYR . 6.6 p -68.69 -52.47 30.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 303' ' ' ILE . . . . . 0.775 HG13 ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -51.44 129.77 33.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 304' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.3 Cg_endo -74.99 15.76 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 305' ' ' GLY . . . . . 0.551 ' HA3' HD12 ' A' ' 409' ' ' ILE . . . -131.16 -23.1 0.95 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.735 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 79.1 t80 -64.63 -53.86 40.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 307' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -70.24 -18.79 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -77.67 -12.73 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.746 ' HB2' ' HG3' ' A' ' 314' ' ' GLN . 5.4 mt -69.7 -110.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 310' ' ' ASP . . . . . 0.842 ' CG ' HD12 ' A' ' 401' ' ' LEU . 8.5 t70 -150.71 155.58 39.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 311' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 315' ' ' VAL . 0.2 OUTLIER -53.92 -48.98 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 312' ' ' ASN . . . . . 0.958 ' HB2' HD11 ' A' ' 401' ' ' LEU . 64.5 m-80 -80.84 -54.72 5.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 313' ' ' ASP . . . . . 1.11 ' OD2' HD11 ' A' ' 406' ' ' ILE . 34.3 t0 -40.2 -47.49 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 314' ' ' GLN . . . . . 0.746 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 5.5 mt-30 -61.88 -51.34 68.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 315' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 311' ' ' LEU . 75.4 t -61.35 -47.6 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.843 HG21 ' C ' ' A' ' 399' ' ' GLY . 24.9 m -43.75 -65.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 317' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -46.22 -51.75 13.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 318' ' ' LEU . . . . . 1.053 HD23 HG22 ' A' ' 322' ' ' VAL . 0.3 OUTLIER -56.8 -53.13 61.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 319' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 318' ' ' LEU . 0.7 OUTLIER -35.24 -41.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 320' ' ' TYR . . . . . 0.502 ' CB ' ' HG3' ' A' ' 397' ' ' ARG . 0.1 OUTLIER -118.95 6.51 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 321' ' ' GLY . . . . . 0.732 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -103.73 -50.71 1.01 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 322' ' ' VAL . . . . . 1.053 HG22 HD23 ' A' ' 318' ' ' LEU . 4.0 t -44.84 -25.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 323' ' ' HIS . . . . . 0.542 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 23.8 m170 -70.82 -49.4 46.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 324' ' ' GLU . . . . . 0.977 ' HA ' HD12 ' A' ' 442' ' ' LEU . 7.6 mt-10 -72.03 2.81 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 325' ' ' ILE . . . . . 1.025 HD12 HG22 ' A' ' 391' ' ' ILE . 0.7 OUTLIER -106.56 -46.79 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 326' ' ' ILE . . . . . 0.766 HD11 HG12 ' A' ' 322' ' ' VAL . 15.1 mt -77.03 -38.27 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.723 ' HD2' HG22 ' A' ' 446' ' ' VAL . 5.7 m-30 -76.94 -26.09 53.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 328' ' ' THR . . . . . 0.923 ' HA ' HD21 ' A' ' 442' ' ' LEU . 3.9 t -71.38 -57.78 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.585 ' N ' ' CG2' ' A' ' 328' ' ' THR . 17.2 ptt? -74.81 -25.08 58.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.687 ' O ' ' HG2' ' A' ' 334' ' ' MET . 1.3 mt -47.51 -56.72 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 331' ' ' ALA . . . . . 0.941 ' HA ' ' HB2' ' A' ' 371' ' ' ALA . . . -31.58 -57.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 332' ' ' SER . . . . . 0.697 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 64.1 m -56.58 -46.59 80.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.837 ' N ' HD23 ' A' ' 333' ' ' LEU . 0.6 OUTLIER -64.8 -13.52 55.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 334' ' ' MET . . . . . 0.687 ' HG2' ' O ' ' A' ' 330' ' ' LEU . 2.5 mmt -76.23 173.23 11.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 335' ' ' ASN . . . . . 0.686 ' HB2' HD21 ' A' ' 237' ' ' LEU . 0.1 OUTLIER -140.96 8.81 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 336' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER 81.65 -41.37 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 337' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' A' ' 349' ' ' THR . 0.3 OUTLIER -126.63 10.53 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 338' ' ' GLY . . . . . 0.676 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -171.3 174.04 44.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 339' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 341' ' ' ILE . 2.7 p -143.37 154.56 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 0.83 HD21 ' CD1' ' A' ' 237' ' ' LEU . 1.2 mm? -65.68 121.96 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 341' ' ' ILE . . . . . 0.866 ' C ' HD13 ' A' ' 341' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 346' ' ' GLY . . . . . 0.726 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 0.957 ' CZ ' HG23 ' A' ' 248' ' ' VAL . 0.2 OUTLIER -170.29 123.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 110.973 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.68 ' N ' HD12 ' A' ' 341' ' ' ILE . 2.2 mtp -81.4 115.4 20.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 349' ' ' THR . . . . . 0.676 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 2.2 p -61.1 150.25 34.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.391 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 350' ' ' ARG . . . . . 0.864 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 8.9 ttm180 -65.31 -53.16 47.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 351' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 355' ' ' SER . 11.3 pt-20 -41.88 -22.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 352' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 350' ' ' ARG . 1.0 OUTLIER -88.77 -67.2 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 353' ' ' LEU . . . . . 0.805 ' O ' HD21 ' A' ' 356' ' ' LEU . 0.4 OUTLIER -50.13 -51.94 39.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 354' ' ' LYS . . . . . 0.596 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.0 OUTLIER -61.84 -37.85 86.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 355' ' ' SER . . . . . 0.914 ' O ' HD23 ' A' ' 356' ' ' LEU . 0.6 OUTLIER -53.61 80.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 356' ' ' LEU . . . . . 0.914 HD23 ' O ' ' A' ' 355' ' ' SER . 0.0 OUTLIER 177.38 -161.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 357' ' ' ARG . . . . . 0.639 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.0 OUTLIER -30.68 145.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 358' ' ' LYS . . . . . 0.85 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -44.48 -57.97 5.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 359' ' ' PRO . . . . . 0.85 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.06 -75.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 360' ' ' PHE . . . . . 0.87 ' CE1' HD12 ' A' ' 456' ' ' ILE . 13.6 m-85 -46.78 -16.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 361' ' ' GLY . . . . . 0.641 ' HA2' HD12 ' A' ' 356' ' ' LEU . . . -101.07 38.57 3.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.43 1.082 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 362' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 362' ' ' ASP . 0.5 OUTLIER 178.52 55.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 0.772 . . . . 0.0 109.356 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 363' ' ' PHE . . . . . 0.534 ' CE1' ' HA ' ' A' ' 360' ' ' PHE . 3.9 m-85 -104.34 -11.41 17.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 364' ' ' MET . . . . . 0.781 ' HB2' HD13 ' A' ' 353' ' ' LEU . 0.0 OUTLIER -120.34 -5.82 9.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 365' ' ' GLU . . . . . 0.864 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 4.3 tp10 -67.44 -38.74 16.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.2 Cg_endo -75.0 -26.4 10.95 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 367' ' ' LYS . . . . . 0.649 ' HB2' ' CE ' ' A' ' 334' ' ' MET . 15.2 mttp -75.48 -49.29 19.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 368' ' ' PHE . . . . . 0.755 ' CE2' ' HB2' ' A' ' 350' ' ' ARG . 5.0 m-30 -56.08 -47.77 77.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 369' ' ' GLU . . . . . 1.02 ' O ' HG12 ' A' ' 372' ' ' VAL . 0.8 OUTLIER -59.58 -46.56 88.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 370' ' ' PHE . . . . . 0.906 ' CE2' ' HB2' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -61.53 -31.71 71.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 371' ' ' ALA . . . . . 0.941 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -66.4 -51.8 53.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 372' ' ' VAL . . . . . 1.02 HG12 ' O ' ' A' ' 369' ' ' GLU . 3.5 p -50.99 -20.18 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 373' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -99.99 -25.03 14.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 374' ' ' PHE . . . . . 0.662 ' CZ ' HD23 ' A' ' 442' ' ' LEU . 0.1 OUTLIER -84.81 -40.45 17.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 375' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 371' ' ' ALA . 4.8 m120 -57.02 -14.09 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -89.02 32.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.616 HD11 ' HG2' ' A' ' 438' ' ' LYS . 1.2 pp -169.56 5.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 378' ' ' GLU . . . . . 0.886 ' C ' HD22 ' A' ' 379' ' ' LEU . 3.1 mm-40 -69.07 162.34 27.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.886 HD22 ' C ' ' A' ' 378' ' ' GLU . 3.6 mm? -134.35 -101.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 380' ' ' ASP . . . . . 0.911 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 3.2 p30 -139.52 153.3 47.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 381' ' ' ASP . . . . . 0.572 ' OD2' ' HB3' ' A' ' 231' ' ' ALA . 62.3 m-20 -53.43 -11.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 382' ' ' SER . . . . . 1.02 ' HA ' ' CE2' ' A' ' 219' ' ' TYR . 0.3 OUTLIER -72.67 -68.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.04 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 383' ' ' ASP . . . . . 0.476 ' OD1' ' ND2' ' A' ' 424' ' ' ASN . 0.7 OUTLIER -57.63 -24.04 54.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.919 ' O ' ' HD1' ' A' ' 387' ' ' PHE . 10.2 mt -80.18 -67.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 385' ' ' ALA . . . . . 0.605 ' C ' ' O ' ' A' ' 384' ' ' LEU . . . -23.01 -38.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.937 ' HA ' HD12 ' A' ' 218' ' ' LEU . 5.7 mt -81.69 -54.93 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 387' ' ' PHE . . . . . 0.919 ' HD1' ' O ' ' A' ' 384' ' ' LEU . 0.1 OUTLIER -37.8 -26.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 388' ' ' ILE . . . . . 0.805 ' N ' ' CD1' ' A' ' 387' ' ' PHE . 0.0 OUTLIER -59.57 -55.01 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 389' ' ' ALA . . . . . 1.035 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -60.43 -37.7 81.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.714 ' O ' ' NE2' ' A' ' 410' ' ' GLN . 7.0 t -61.24 -13.84 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 1.025 HG22 HD12 ' A' ' 325' ' ' ILE . 19.8 mm -107.44 -18.94 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 392' ' ' ILE . . . . . 0.972 HG22 HD23 ' A' ' 393' ' ' LEU . 91.4 mt -69.79 -76.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.972 HD23 HG22 ' A' ' 392' ' ' ILE . 0.0 OUTLIER -64.29 91.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 394' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 396' ' ' ASP . 51.9 m -110.48 81.21 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 395' ' ' GLY . . . . . 0.723 ' HA2' HG22 ' A' ' 403' ' ' VAL . . . -59.33 72.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 396' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 394' ' ' SER . 5.6 p-10 -177.77 -22.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 397' ' ' ARG . . . . . 0.51 ' NH2' ' OG ' ' A' ' 394' ' ' SER . 0.0 OUTLIER -49.6 147.59 5.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.29 8.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 399' ' ' GLY . . . . . 0.843 ' C ' HG21 ' A' ' 316' ' ' THR . . . 93.02 36.28 6.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.757 HD13 HG22 ' A' ' 403' ' ' VAL . 15.7 mt -92.45 150.98 20.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.958 HD11 ' HB2' ' A' ' 312' ' ' ASN . 15.5 mt -100.78 -73.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 402' ' ' ASN . . . . . 1.279 ' O ' ' CD1' ' A' ' 406' ' ' ILE . 16.9 m-20 -105.71 79.54 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 403' ' ' VAL . . . . . 0.969 ' HA ' HD13 ' A' ' 406' ' ' ILE . 0.9 OUTLIER -67.72 -3.95 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.664 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 6.2 mtmt -77.53 -45.01 2.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 405' ' ' PRO . . . . . 1.266 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -20.18 17.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 406' ' ' ILE . . . . . 1.279 ' CD1' ' O ' ' A' ' 402' ' ' ASN . 4.0 mp -72.2 -56.82 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.74 -10.33 59.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 408' ' ' ASP . . . . . 0.664 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 59.7 m-20 -87.64 -45.88 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 409' ' ' ILE . . . . . 0.894 HG22 HD11 ' A' ' 393' ' ' LEU . 33.6 mm -72.67 -27.7 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 410' ' ' GLN . . . . . 0.813 ' HG2' HD12 ' A' ' 413' ' ' LEU . 0.0 OUTLIER -77.56 -38.34 48.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.37 -25.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.83 -50.35 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 1.035 HD13 ' HB1' ' A' ' 389' ' ' ALA . 2.3 mt -52.91 -41.67 64.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.843 HD21 HD22 ' A' ' 436' ' ' LEU . 0.1 OUTLIER -62.02 -49.54 75.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.525 ' O ' ' HB3' ' A' ' 419' ' ' LEU . 45.3 mt-30 -48.72 -51.87 26.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.673 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -55.1 -50.22 69.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 417' ' ' LEU . . . . . 1.007 HD22 ' C ' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -43.56 -78.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 418' ' ' GLU . . . . . 0.923 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -53.68 -24.33 14.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.85 HD21 ' CB ' ' A' ' 211' ' ' LEU . 0.0 OUTLIER -67.49 -81.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 420' ' ' GLN . . . . . 0.659 ' O ' ' CG ' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -56.46 -11.95 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.595 HD11 ' CD1' ' A' ' 435' ' ' LEU . 0.5 OUTLIER -88.52 -57.26 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 422' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 0.0 OUTLIER -80.83 15.33 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.834 HD12 ' HG ' ' A' ' 419' ' ' LEU . 28.4 mt -125.89 -32.94 2.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.659 ' CG ' ' O ' ' A' ' 420' ' ' GLN . 31.6 p-10 -92.85 -11.78 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.505 ' CG ' ' OD1' ' A' ' 424' ' ' ASN . 3.5 p80 177.34 67.4 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.639 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.557 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.1 Cg_endo -75.05 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 0.0 110.979 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.01 -76.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 428' ' ' SER . . . . . 0.45 ' HB2' HD23 ' A' ' 431' ' ' LEU . 0.1 OUTLIER -80.94 -170.65 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.997 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 429' ' ' SER . . . . . 0.406 ' HB2' ' NE2' ' A' ' 430' ' ' GLN . 37.5 m -92.62 -36.11 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 430' ' ' GLN . . . . . 0.656 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -126.91 24.37 6.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 431' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 431' ' ' LEU . 1.7 tm? -38.53 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 432' ' ' PHE . . . . . 0.739 ' CD1' HD23 ' A' ' 436' ' ' LEU . 0.1 OUTLIER -85.29 -47.85 9.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 433' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 430' ' ' GLN . . . -41.57 -27.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 434' ' ' LYS . . . . . 0.552 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.0 OUTLIER -97.25 -49.18 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 435' ' ' LEU . . . . . 0.595 ' CD1' HD11 ' A' ' 421' ' ' LEU . 0.5 OUTLIER -39.02 -39.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.843 HD22 HD21 ' A' ' 414' ' ' LEU . 1.9 pp -75.18 -47.34 28.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 437' ' ' GLN . . . . . 0.599 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 1.3 mm100 -46.14 -14.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.616 ' HG2' HD11 ' A' ' 377' ' ' LEU . 0.0 OUTLIER -47.1 -29.78 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 439' ' ' MET . . . . . 0.66 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.36 -43.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.2 OUTLIER -34.3 -76.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.589 ' O ' HG13 ' A' ' 445' ' ' ILE . 28.6 m-20 -52.08 -25.91 9.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 442' ' ' LEU . . . . . 0.977 HD12 ' HA ' ' A' ' 324' ' ' GLU . 0.5 OUTLIER -76.42 -75.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 443' ' ' ARG . . . . . 0.66 ' N ' ' O ' ' A' ' 439' ' ' MET . 18.3 ttt180 -52.63 -19.67 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.635 ' O ' HG22 ' A' ' 447' ' ' THR . 31.6 mm-40 -72.16 -68.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.691 HD11 ' HB2' ' A' ' 370' ' ' PHE . 0.9 OUTLIER -45.63 -28.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 442' ' ' LEU . 41.3 t -65.72 -73.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 444' ' ' GLN . 5.0 t -42.14 -26.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 448' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 446' ' ' VAL . 10.1 mm-40 -86.85 -55.55 3.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 449' ' ' HIS . . . . . 0.469 ' CD2' ' HE3' ' A' ' 367' ' ' LYS . 60.1 t-80 -51.37 -19.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.528 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' VAL . . . . . 1.055 ' HA ' HD12 ' A' ' 453' ' ' LEU . 4.0 t -92.79 -48.07 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 451' ' ' GLN . . . . . 0.417 ' O ' ' CG2' ' A' ' 455' ' ' VAL . 15.7 mt-30 -52.24 -19.99 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.558 HD12 ' CB ' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -94.39 -56.79 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 1.055 HD12 ' HA ' ' A' ' 450' ' ' VAL . 0.0 OUTLIER -69.78 -12.83 61.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 454' ' ' GLN . . . . . 0.945 ' N ' HD13 ' A' ' 453' ' ' LEU . 2.5 tt0 -92.99 -42.23 9.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.463 ' O ' ' HB ' ' A' ' 459' ' ' THR . 4.1 t -68.17 -17.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 456' ' ' ILE . . . . . 0.87 HD12 ' CE1' ' A' ' 360' ' ' PHE . 10.5 pt -98.91 -48.81 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 457' ' ' LYS . . . . . 0.778 ' HG3' HD22 ' A' ' 453' ' ' LEU . 0.3 OUTLIER -54.67 -19.09 5.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 458' ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -110.86 -22.99 11.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 459' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 459' ' ' THR . 1.3 m -146.98 53.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.382 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.715 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.3 OUTLIER -57.4 170.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -63.2 -26.22 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 462' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.7 OUTLIER 170.57 53.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 4.3 ttm 59.79 156.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 13.4 t -178.16 153.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 1.115 HD23 HD13 ' A' ' 469' ' ' LEU . 0.2 OUTLIER 72.35 -124.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 466' ' ' HIS . . . . . 1.011 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 11.0 p80 -159.7 -174.79 0.45 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.563 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 467' ' ' PRO . . . . . 1.011 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 2.9 mt -43.51 -19.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 469' ' ' LEU . . . . . 1.115 HD13 HD23 ' A' ' 465' ' ' LEU . 0.0 OUTLIER -91.55 -51.32 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.462 ' HB2' ' HZ3' ' A' ' 457' ' ' LYS . 0.9 OUTLIER -58.35 -29.69 66.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -74.0 -68.45 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 472' ' ' ILE . . . . . 0.766 HD12 ' N ' ' A' ' 473' ' ' TYR . 2.3 pp -42.11 -60.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 473' ' ' TYR . . . . . 0.766 ' N ' HD12 ' A' ' 472' ' ' ILE . 1.4 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 210' ' ' ASP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.978 HD12 HD22 ' A' ' 419' ' ' LEU . 0.1 OUTLIER -60.69 -53.46 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 212' ' ' ARG . . . . . 0.469 ' NH1' ' HA ' ' A' ' 420' ' ' GLN . 2.3 tpm_? -77.91 -28.58 49.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 213' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -71.17 -55.59 7.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 214' ' ' LEU . . . . . 0.643 ' HG ' HD13 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -50.79 -44.45 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -48.22 -59.75 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 216' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -47.12 -33.05 4.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 217' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 68.1 t60 -73.25 -73.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.595 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 1.014 HD21 HD22 ' A' ' 413' ' ' LEU . 7.7 mp -37.89 -58.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 219' ' ' TYR . . . . . 1.008 ' CE1' HD13 ' A' ' 223' ' ' ILE . 92.8 t80 -58.14 -40.49 81.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 220' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 2.4 m-20 -58.41 -63.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 221' ' ' SER . . . . . 1.263 ' O ' ' CD2' ' A' ' 299' ' ' TYR . 0.0 OUTLIER -71.21 6.75 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.032 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 222' ' ' TYR . . . . . 0.894 ' HB2' ' O ' ' A' ' 218' ' ' LEU . 0.1 OUTLIER -113.72 -54.06 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 223' ' ' ILE . . . . . 1.008 HD13 ' CE1' ' A' ' 219' ' ' TYR . 1.4 tp -48.47 -19.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 224' ' ' LYS . . . . . 0.893 ' HB2' ' CE2' ' A' ' 299' ' ' TYR . 0.7 OUTLIER -94.92 -44.51 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 225' ' ' SER . . . . . 0.714 ' HB2' ' HD2' ' A' ' 299' ' ' TYR . 33.3 t -38.41 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 226' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.88 122.09 86.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.4 2.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.529 HD12 HD12 ' A' ' 333' ' ' LEU . 0.2 OUTLIER -95.14 117.56 30.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 229' ' ' THR . . . . . 0.633 ' CA ' HD11 ' A' ' 333' ' ' LEU . 55.6 p -131.76 -165.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 230' ' ' LYS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 332' ' ' SER . 0.0 OUTLIER -77.93 -37.28 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 231' ' ' ALA . . . . . 1.127 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -70.62 -20.51 62.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 232' ' ' LYS . . . . . 0.408 ' HG3' ' OG1' ' A' ' 229' ' ' THR . 0.6 OUTLIER -102.06 -39.6 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 233' ' ' ALA . . . . . 0.94 ' HB2' HD12 ' A' ' 333' ' ' LEU . . . -66.85 -53.97 27.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.902 ' NH1' HD22 ' A' ' 237' ' ' LEU . 0.2 OUTLIER -75.59 -15.08 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 235' ' ' ALA . . . . . 1.127 ' HB2' ' O ' ' A' ' 231' ' ' ALA . . . -60.84 -59.61 5.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.877 HD12 ' HB3' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -73.04 -39.16 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 237' ' ' LEU . . . . . 0.924 HD13 HD21 ' A' ' 340' ' ' LEU . 0.7 OUTLIER -52.45 -17.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 238' ' ' THR . . . . . 0.735 HG22 ' C ' ' A' ' 237' ' ' LEU . 0.1 OUTLIER 162.61 -10.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 239' ' ' GLY . . . . . 0.809 ' C ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 246' ' ' PRO . . . . . 0.877 ' HB3' HD12 ' A' ' 236' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 247' ' ' PHE . . . . . 0.655 ' N ' ' HA2' ' A' ' 346' ' ' GLY . 0.1 OUTLIER -46.85 67.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 1.091 HG23 ' CZ ' ' A' ' 347' ' ' PHE . 15.0 p -43.31 147.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 249' ' ' ILE . . . . . 0.626 HG22 ' O ' ' A' ' 249' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 276' ' ' GLU . . . . . 0.718 ' HG2' ' HB3' ' A' ' 278' ' ' ALA . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 277' ' ' VAL . . . . . 0.599 ' O ' HD22 ' A' ' 356' ' ' LEU . 3.3 t -64.99 -11.94 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 278' ' ' ALA . . . . . 0.825 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -90.2 -63.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 0.68 HD11 ' HA ' ' A' ' 465' ' ' LEU . 0.5 OUTLIER -36.78 -36.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 280' ' ' ARG . . . . . 0.706 ' NE ' HD12 ' A' ' 281' ' ' ILE . 2.9 ptt180 -77.76 -51.5 10.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 281' ' ' ILE . . . . . 0.748 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.1 OUTLIER -78.14 -49.85 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 282' ' ' PHE . . . . . 0.825 ' N ' ' O ' ' A' ' 278' ' ' ALA . 2.7 t80 -48.79 -44.61 39.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 283' ' ' GLN . . . . . 0.542 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 29.6 mt-30 -69.33 -37.64 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 284' ' ' GLY . . . . . 0.461 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -82.81 -57.13 2.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 285' ' ' CYS . . . . . 0.748 ' N ' ' O ' ' A' ' 281' ' ' ILE . 11.2 m -52.96 -17.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 286' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 58.2 tp60 -106.3 -25.12 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 287' ' ' PHE . . . . . 0.572 ' CD2' ' OE1' ' A' ' 291' ' ' GLU . 12.8 t80 -52.93 -31.46 40.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -61.29 -22.2 64.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 289' ' ' SER . . . . . 1.002 ' HA ' HG21 ' A' ' 326' ' ' ILE . 26.3 t -88.04 -57.18 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.037 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 290' ' ' VAL . . . . . 0.483 ' O ' ' HG3' ' A' ' 294' ' ' GLN . 2.8 m -51.75 -26.83 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 291' ' ' GLU . . . . . 0.572 ' OE1' ' CD2' ' A' ' 287' ' ' PHE . 28.9 mt-10 -77.06 -63.25 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 292' ' ' ALA . . . . . 0.905 ' HB3' HG12 ' A' ' 326' ' ' ILE . . . -34.2 -58.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 293' ' ' VAL . . . . . 0.93 HG13 HG11 ' A' ' 322' ' ' VAL . 18.3 t -41.52 -46.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 294' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.07 -28.76 60.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 295' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.5 mm-40 -71.23 -53.59 13.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 296' ' ' ILE . . . . . 0.96 ' O ' ' N ' ' A' ' 300' ' ' ALA . 1.7 mp -55.41 -78.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 297' ' ' THR . . . . . 0.759 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 1.0 OUTLIER -31.58 -70.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.457 ' N ' HG22 ' A' ' 297' ' ' THR . 1.2 mm-40 -34.94 -31.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 299' ' ' TYR . . . . . 1.263 ' CD2' ' O ' ' A' ' 221' ' ' SER . 0.5 OUTLIER -116.37 -24.96 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 1.116 ' O ' ' N ' ' A' ' 302' ' ' SER . . . -51.44 -53.59 35.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 301' ' ' LYS . . . . . 0.516 ' HA ' HG22 ' A' ' 307' ' ' VAL . 14.9 mttm -33.59 -2.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 302' ' ' SER . . . . . 1.116 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -61.68 -55.69 27.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.027 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 303' ' ' ILE . . . . . 0.892 HG23 HD11 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -46.3 126.25 7.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 304' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.3 Cg_endo -74.99 14.58 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 305' ' ' GLY . . . . . 0.556 ' O ' ' CD2' ' A' ' 309' ' ' LEU . . . -129.0 -23.02 1.19 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.843 ' HE1' HD11 ' A' ' 317' ' ' LEU . 0.6 OUTLIER -65.04 -56.3 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.79 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 307' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -69.17 -19.8 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.0 -15.56 61.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.8 mt -69.52 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 310' ' ' ASP . . . . . 0.719 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -141.66 149.43 40.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -46.8 72.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 312' ' ' ASN . . . . . 0.678 ' HB2' HD11 ' A' ' 401' ' ' LEU . 3.3 m120 -80.53 -57.31 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 313' ' ' ASP . . . . . 0.799 ' H ' HD12 ' A' ' 401' ' ' LEU . 23.2 t0 -39.66 -48.94 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 314' ' ' GLN . . . . . 0.579 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 6.3 mt-30 -56.81 -54.77 42.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.54 -32.53 58.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.794 HG21 ' HA ' ' A' ' 400' ' ' LEU . 0.9 OUTLIER -57.98 -65.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.392 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 317' ' ' LEU . . . . . 0.883 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -45.13 -44.12 10.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 318' ' ' LEU . . . . . 0.981 HD23 HG12 ' A' ' 322' ' ' VAL . 0.2 OUTLIER -57.81 -58.02 10.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 319' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 318' ' ' LEU . 0.0 OUTLIER -39.09 -40.9 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 320' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -112.51 4.04 17.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 321' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -108.82 -50.97 0.71 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 322' ' ' VAL . . . . . 0.981 HG12 HD23 ' A' ' 318' ' ' LEU . 3.9 m -37.35 -31.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 323' ' ' HIS . . . . . 0.96 ' CG ' HG11 ' A' ' 446' ' ' VAL . 0.0 OUTLIER -61.27 -60.77 3.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.63 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 324' ' ' GLU . . . . . 0.907 ' HA ' HD12 ' A' ' 442' ' ' LEU . 4.2 mp0 -66.73 1.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 325' ' ' ILE . . . . . 0.954 HD12 HG22 ' A' ' 391' ' ' ILE . 1.0 OUTLIER -100.62 -58.79 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 326' ' ' ILE . . . . . 1.002 HG21 ' HA ' ' A' ' 289' ' ' SER . 1.5 mt -60.54 -43.06 93.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.925 ' CD2' HG22 ' A' ' 446' ' ' VAL . 29.3 m-85 -76.54 -19.92 57.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 328' ' ' THR . . . . . 0.704 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 0.6 OUTLIER -58.02 -58.71 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.599 ' N ' ' CG2' ' A' ' 328' ' ' THR . 5.0 ptt? -93.55 -20.66 20.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.736 ' HB2' ' HA ' ' A' ' 327' ' ' TYR . 1.8 mt -38.64 -54.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 331' ' ' ALA . . . . . 0.805 ' HA ' ' HB2' ' A' ' 371' ' ' ALA . . . -38.67 -45.75 1.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 332' ' ' SER . . . . . 0.67 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -57.35 -47.04 82.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.996 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.94 HD12 ' HB2' ' A' ' 233' ' ' ALA . 0.2 OUTLIER -71.98 24.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 334' ' ' MET . . . . . 0.701 ' CG ' ' HA ' ' A' ' 368' ' ' PHE . 4.9 mmt -109.6 172.93 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 335' ' ' ASN . . . . . 0.793 ' O ' ' CD1' ' A' ' 368' ' ' PHE . 2.1 t-20 -139.52 172.58 12.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 336' ' ' LYS . . . . . 0.783 ' H ' ' ND2' ' A' ' 335' ' ' ASN . 0.1 OUTLIER -62.89 -50.56 70.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 337' ' ' ASP . . . . . 0.533 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 5.9 m-20 -125.65 36.05 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 338' ' ' GLY . . . . . 0.725 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -173.7 -172.97 39.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 339' ' ' VAL . . . . . 0.815 HG13 HD11 ' A' ' 353' ' ' LEU . 1.0 OUTLIER -146.99 128.43 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 0.924 HD21 HD13 ' A' ' 237' ' ' LEU . 3.6 mm? -53.24 128.86 29.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 341' ' ' ILE . . . . . 0.914 HG23 ' HA ' ' A' ' 347' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 346' ' ' GLY . . . . . 0.655 ' HA2' ' N ' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 1.091 ' CZ ' HG23 ' A' ' 248' ' ' VAL . 0.5 OUTLIER -177.45 142.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 110.989 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.512 ' HB2' HG21 ' A' ' 341' ' ' ILE . 21.6 ttm -94.69 116.51 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 349' ' ' THR . . . . . 0.725 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.0 p -63.7 155.55 29.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 350' ' ' ARG . . . . . 0.723 ' HA ' HD12 ' A' ' 353' ' ' LEU . 30.3 ttm180 -57.07 -53.66 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 351' ' ' GLU . . . . . 0.58 ' O ' ' HB2' ' A' ' 355' ' ' SER . 2.9 pt-20 -42.63 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 352' ' ' PHE . . . . . 0.459 ' N ' ' C ' ' A' ' 350' ' ' ARG . 0.1 OUTLIER -86.92 -54.67 4.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 353' ' ' LEU . . . . . 0.815 HD11 HG13 ' A' ' 339' ' ' VAL . 0.7 OUTLIER -53.74 -53.08 57.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 354' ' ' LYS . . . . . 0.681 ' O ' ' N ' ' A' ' 356' ' ' LEU . 5.2 mtpm? -64.79 -36.27 83.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 355' ' ' SER . . . . . 0.975 ' O ' HD23 ' A' ' 356' ' ' LEU . 0.4 OUTLIER -59.31 63.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 356' ' ' LEU . . . . . 0.975 HD23 ' O ' ' A' ' 355' ' ' SER . 4.6 mt -149.63 -155.6 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 357' ' ' ARG . . . . . 0.678 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 2.1 mtm180 -68.77 160.52 30.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 358' ' ' LYS . . . . . 0.845 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.38 -66.65 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 359' ' ' PRO . . . . . 0.845 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.2 Cg_endo -75.02 -62.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 360' ' ' PHE . . . . . 0.549 ' CE1' HG21 ' A' ' 456' ' ' ILE . 2.3 m-30 -48.43 -11.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 361' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 357' ' ' ARG . . . -86.85 34.03 3.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 362' ' ' ASP . . . . . 0.532 ' O ' ' OD1' ' A' ' 362' ' ' ASP . 50.4 p30 -177.98 59.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 363' ' ' PHE . . . . . 0.498 ' O ' ' NZ ' ' A' ' 367' ' ' LYS . 0.6 OUTLIER -105.39 -22.44 13.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 364' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 285' ' ' CYS . 0.3 OUTLIER -128.29 -4.94 5.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 365' ' ' GLU . . . . . 0.756 ' OE1' ' CE2' ' A' ' 368' ' ' PHE . 1.6 tp10 -74.83 -36.24 2.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.2 Cg_endo -75.01 -32.95 4.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.548 1.815 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 367' ' ' LYS . . . . . 0.63 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 0.2 OUTLIER -69.97 -60.8 2.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 368' ' ' PHE . . . . . 0.793 ' CD1' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -59.92 -47.99 83.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 369' ' ' GLU . . . . . 0.861 ' O ' HG12 ' A' ' 372' ' ' VAL . 6.1 tt0 -50.64 -45.31 57.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 370' ' ' PHE . . . . . 1.095 ' CG ' HD11 ' A' ' 445' ' ' ILE . 3.7 m-85 -70.28 -33.93 72.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 371' ' ' ALA . . . . . 0.805 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -57.17 -47.47 81.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 372' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 369' ' ' GLU . 1.4 p -58.53 -15.63 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 373' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -102.19 -25.45 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 374' ' ' PHE . . . . . 0.668 ' CE1' ' OD1' ' A' ' 441' ' ' ASP . 0.1 OUTLIER -90.04 -35.79 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 375' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' A' ' 377' ' ' LEU . 1.7 m120 -57.98 -11.02 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -83.96 26.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.841 HD11 ' CE ' ' A' ' 438' ' ' LYS . 1.2 pp -167.04 4.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 378' ' ' GLU . . . . . 1.026 ' O ' HD23 ' A' ' 379' ' ' LEU . 1.3 mt-10 -73.35 -172.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 1.026 HD23 ' O ' ' A' ' 378' ' ' GLU . 6.6 mt -136.53 -134.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 380' ' ' ASP . . . . . 0.7 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 0.4 OUTLIER -110.98 148.45 32.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 381' ' ' ASP . . . . . 0.84 ' OD2' ' HB2' ' A' ' 231' ' ' ALA . 1.5 m-20 -38.17 -29.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 382' ' ' SER . . . . . 0.636 ' HA ' ' CD1' ' A' ' 219' ' ' TYR . 0.3 OUTLIER -58.46 -62.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.039 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 383' ' ' ASP . . . . . 0.557 ' OD2' ' HB3' ' A' ' 379' ' ' LEU . 5.9 m-20 -63.45 -20.17 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 11.3 mt -81.91 -61.7 1.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 385' ' ' ALA . . . . . 0.618 ' HB1' ' HB3' ' A' ' 222' ' ' TYR . . . -36.48 -42.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 413' ' ' LEU . 20.0 mt -70.1 -54.32 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 387' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 390' ' ' VAL . 1.3 t80 -35.26 -53.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 388' ' ' ILE . . . . . 0.797 ' CG1' HG23 ' A' ' 325' ' ' ILE . 0.3 OUTLIER -43.21 -50.54 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 389' ' ' ALA . . . . . 0.964 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -62.33 -34.02 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.653 HG13 ' NE2' ' A' ' 410' ' ' GLN . 39.2 t -69.22 -7.05 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.954 HG22 HD12 ' A' ' 325' ' ' ILE . 17.1 mm -110.22 -17.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 392' ' ' ILE . . . . . 0.718 HD13 ' CE2' ' A' ' 306' ' ' PHE . 0.1 OUTLIER -84.15 -56.86 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.8 ' O ' HG22 ' A' ' 406' ' ' ILE . 3.6 mm? -66.34 19.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 394' ' ' SER . . . . . 0.713 ' H ' ' C ' ' A' ' 392' ' ' ILE . 0.8 OUTLIER -76.71 117.01 17.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.045 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 395' ' ' GLY . . . . . 0.69 ' HA2' HD13 ' A' ' 400' ' ' LEU . . . -97.67 46.57 1.62 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 396' ' ' ASP . . . . . 0.54 ' OD1' ' CZ ' ' A' ' 397' ' ' ARG . 1.1 p-10 -101.12 -23.66 14.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 397' ' ' ARG . . . . . 0.919 ' HB2' ' HG ' ' A' ' 400' ' ' LEU . 14.0 mmt180 -61.03 123.36 75.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 10.2 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 399' ' ' GLY . . . . . 0.717 ' O ' HG21 ' A' ' 316' ' ' THR . . . -125.69 30.62 4.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.919 ' HG ' ' HB2' ' A' ' 397' ' ' ARG . 16.7 mt -91.3 -176.55 4.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.767 . . . . 0.0 109.264 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.799 HD12 ' H ' ' A' ' 313' ' ' ASP . 14.5 mt -126.04 -62.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 402' ' ' ASN . . . . . 0.953 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 4.6 m-20 -108.71 79.61 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 403' ' ' VAL . . . . . 0.959 ' HA ' HD12 ' A' ' 406' ' ' ILE . 1.0 OUTLIER -71.45 -13.02 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.763 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -70.74 -51.49 11.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 405' ' ' PRO . . . . . 0.953 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -21.91 15.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 406' ' ' ILE . . . . . 0.959 HD12 ' HA ' ' A' ' 403' ' ' VAL . 41.5 mt -68.66 -79.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -18.8 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 408' ' ' ASP . . . . . 0.763 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 29.1 m-20 -74.28 -59.65 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 409' ' ' ILE . . . . . 0.73 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 25.0 mm -56.96 -21.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 410' ' ' GLN . . . . . 0.779 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -73.8 -45.29 52.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 411' ' ' ASP . . . . . 0.462 ' HA ' ' CD2' ' A' ' 414' ' ' LEU . 15.8 t70 -42.34 -24.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 412' ' ' ASN . . . . . 0.483 ' N ' ' C ' ' A' ' 410' ' ' GLN . 1.8 t-20 -88.92 -68.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 1.014 HD22 HD21 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -36.89 -47.61 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 415' ' ' GLN . 0.9 OUTLIER -60.72 -54.67 42.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.924 ' HB3' HD21 ' A' ' 211' ' ' LEU . 21.5 mt-30 -43.88 -57.21 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.688 ' O ' ' N ' ' A' ' 420' ' ' GLN . . . -48.87 -57.57 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 417' ' ' LEU . . . . . 1.008 HD22 ' C ' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -38.66 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 418' ' ' GLU . . . . . 0.908 ' H ' HD13 ' A' ' 417' ' ' LEU . 31.4 tt0 -50.64 -32.44 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.249 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.978 HD22 HD12 ' A' ' 211' ' ' LEU . 0.7 OUTLIER -70.04 -73.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 420' ' ' GLN . . . . . 0.688 ' N ' ' O ' ' A' ' 416' ' ' ALA . 0.0 OUTLIER -43.21 -35.87 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.844 HD12 ' C ' ' A' ' 421' ' ' LEU . 0.1 OUTLIER -73.28 -41.17 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 422' ' ' LYS . . . . . 0.538 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 4.4 mttt -77.91 6.67 7.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.787 HD11 ' HG ' ' A' ' 419' ' ' LEU . 10.0 mt -123.32 -42.52 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.616 ' HB3' ' O ' ' A' ' 420' ' ' GLN . 0.0 OUTLIER -81.17 -16.07 53.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.541 ' O ' ' CG ' ' A' ' 425' ' ' HIS . 0.3 OUTLIER 177.08 73.15 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.589 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.538 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.3 Cg_endo -74.95 151.76 40.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 170.32 175.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 36.6 t 63.64 -100.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 3.2 p 171.21 -66.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 430' ' ' GLN . . . . . 0.61 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -102.83 25.99 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 431' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 430' ' ' GLN . 0.7 OUTLIER -38.25 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 432' ' ' PHE . . . . . 0.874 ' CE1' HD23 ' A' ' 436' ' ' LEU . 0.5 OUTLIER -84.91 -49.04 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 433' ' ' ALA . . . . . 0.648 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -44.5 -24.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 434' ' ' LYS . . . . . 0.444 ' N ' ' C ' ' A' ' 432' ' ' PHE . 0.3 OUTLIER -98.02 -48.26 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 435' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.3 OUTLIER -39.52 -38.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.874 HD23 ' CE1' ' A' ' 432' ' ' PHE . 3.3 pp -74.62 -49.44 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 437' ' ' GLN . . . . . 0.648 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 1.3 mt-30 -49.73 -11.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.841 ' CE ' HD11 ' A' ' 377' ' ' LEU . 3.1 mmpm? -48.63 -29.83 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' MET . . . . . 0.69 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.05 -46.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.761 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.1 OUTLIER -31.08 -95.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.668 ' OD1' ' CE1' ' A' ' 374' ' ' PHE . 0.5 OUTLIER -44.92 -22.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 442' ' ' LEU . . . . . 0.907 HD12 ' HA ' ' A' ' 324' ' ' GLU . 1.0 OUTLIER -73.45 -79.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 443' ' ' ARG . . . . . 0.69 ' N ' ' O ' ' A' ' 439' ' ' MET . 1.2 ttt180 -58.72 -19.79 43.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.234 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.994 ' O ' HG22 ' A' ' 447' ' ' THR . 13.6 mm-40 -75.84 -79.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 1.095 HD11 ' CG ' ' A' ' 370' ' ' PHE . 10.1 mt -44.92 -45.45 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.96 HG11 ' CG ' ' A' ' 323' ' ' HIS . 68.6 t -51.93 -66.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' THR . . . . . 0.994 HG22 ' O ' ' A' ' 444' ' ' GLN . 15.3 t -46.26 -24.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.43 -52.41 9.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' HIS . . . . . 0.634 ' CG ' ' HH ' ' A' ' 327' ' ' TYR . 0.1 OUTLIER -42.81 -31.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.598 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 450' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' A' ' 454' ' ' GLN . 21.9 t -82.01 -49.4 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 451' ' ' GLN . . . . . 0.735 ' O ' HG23 ' A' ' 455' ' ' VAL . 4.6 mt-30 -44.94 -25.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.401 ' N ' ' C ' ' A' ' 450' ' ' VAL . 1.6 mt -86.71 -68.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 457' ' ' LYS . 0.1 OUTLIER -58.56 -17.18 19.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 454' ' ' GLN . . . . . 0.675 ' O ' ' CG ' ' A' ' 458' ' ' LYS . 0.7 OUTLIER -80.56 -50.52 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 451' ' ' GLN . 95.4 t -70.62 -6.02 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' ILE . . . . . 0.885 ' O ' ' N ' ' A' ' 460' ' ' GLU . 1.4 tp -105.91 -59.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 457' ' ' LYS . . . . . 0.65 ' HB3' HD12 ' A' ' 453' ' ' LEU . 0.0 OUTLIER -49.76 -20.04 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 458' ' ' LYS . . . . . 0.675 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -102.6 -39.4 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 459' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 459' ' ' THR . 2.1 m -126.39 39.52 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.885 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.2 OUTLIER -44.12 170.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.5 OUTLIER -72.28 -22.45 61.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 462' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 461' ' ' THR . 4.2 t0 170.72 54.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 5.5 ttt 62.07 152.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 464' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 465' ' ' LEU . 3.6 m -164.62 175.84 9.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.816 HD23 HD13 ' A' ' 469' ' ' LEU . 0.1 OUTLIER 39.29 -127.06 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 466' ' ' HIS . . . . . 0.908 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 13.2 p80 -158.59 -177.3 0.72 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 467' ' ' PRO . . . . . 0.908 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.99 -44.88 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 0.5 OUTLIER -43.86 -20.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 469' ' ' LEU . . . . . 0.816 HD13 HD23 ' A' ' 465' ' ' LEU . 0.0 OUTLIER -89.26 -56.86 3.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.484 ' CG ' ' HD2' ' A' ' 457' ' ' LYS . 1.4 tt0 -46.76 -28.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -76.05 -53.25 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 472' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.0 OUTLIER -45.43 -57.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 473' ' ' TYR . . . . . 0.528 ' CZ ' ' CD2' ' A' ' 453' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 210' ' ' ASP . . . . . 0.566 ' O ' ' HB3' ' A' ' 214' ' ' LEU . 2.1 p30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 1.187 HD22 ' CD1' ' A' ' 419' ' ' LEU . 0.1 OUTLIER -56.97 -60.57 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 212' ' ' ARG . . . . . 0.44 ' NH2' ' HB2' ' A' ' 420' ' ' GLN . 0.3 OUTLIER -94.55 -21.82 18.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 213' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -72.42 -57.96 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 214' ' ' LEU . . . . . 1.086 HD23 ' HB2' ' A' ' 416' ' ' ALA . 11.8 tp -56.78 -55.55 32.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 215' ' ' ALA . . . . . 0.539 ' HA ' HD11 ' A' ' 386' ' ' ILE . . . -42.36 -67.61 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 216' ' ' LYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -51.96 -28.31 16.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 217' ' ' HIS . . . . . 0.586 ' O ' ' N ' ' A' ' 220' ' ' ASP . 33.0 t60 -73.27 -73.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.644 ' O ' ' HB2' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -36.89 -50.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 219' ' ' TYR . . . . . 0.717 ' HD1' ' HB3' ' A' ' 385' ' ' ALA . 19.1 t80 -70.54 -32.61 70.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 220' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 217' ' ' HIS . 0.7 OUTLIER -61.37 -75.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 221' ' ' SER . . . . . 0.749 ' CB ' ' HB2' ' A' ' 302' ' ' SER . 67.2 m -50.53 -29.07 9.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 222' ' ' TYR . . . . . 0.717 ' CE2' ' HA ' ' A' ' 385' ' ' ALA . 0.6 OUTLIER -71.82 -49.83 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 223' ' ' ILE . . . . . 0.564 HD11 ' CE2' ' A' ' 219' ' ' TYR . 1.1 mp -52.06 -10.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 224' ' ' LYS . . . . . 0.536 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.1 OUTLIER -94.61 -44.09 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 225' ' ' SER . . . . . 0.63 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 29.5 t -59.36 -77.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 226' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 226' ' ' PHE . 0.0 OUTLIER -113.77 110.09 49.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 227' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.4 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.702 HD11 ' HG ' ' A' ' 340' ' ' LEU . 0.5 OUTLIER -59.46 80.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 229' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 227' ' ' PRO . 15.5 p -83.52 -165.68 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 230' ' ' LYS . . . . . 0.694 ' HD3' HD11 ' A' ' 384' ' ' LEU . 0.2 OUTLIER -75.36 -27.81 59.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 231' ' ' ALA . . . . . 0.764 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -76.14 -39.78 54.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 232' ' ' LYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 236' ' ' ILE . 1.4 mttp -73.04 -40.56 65.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 233' ' ' ALA . . . . . 0.869 ' HB1' HD23 ' A' ' 340' ' ' LEU . . . -68.05 -47.75 67.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.654 ' NE ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -77.07 1.29 18.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 235' ' ' ALA . . . . . 0.877 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -87.48 -69.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.583 ' CD1' ' O ' ' A' ' 232' ' ' LYS . 0.0 OUTLIER -61.45 -37.55 78.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 237' ' ' LEU . . . . . 0.719 ' HG ' HD21 ' A' ' 340' ' ' LEU . 26.6 mt -51.73 -34.1 37.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 238' ' ' THR . . . . . 0.619 ' O ' ' C ' ' A' ' 239' ' ' GLY . 1.9 t -161.98 -35.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 239' ' ' GLY . . . . . 0.877 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 246' ' ' PRO . . . . . 0.763 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 247' ' ' PHE . . . . . 0.615 ' C ' ' O ' ' A' ' 246' ' ' PRO . 14.4 t80 -14.22 75.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 0.763 ' N ' ' O ' ' A' ' 246' ' ' PRO . 1.5 m -58.84 101.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 249' ' ' ILE . . . . . 0.708 ' O ' HG23 ' A' ' 349' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 276' ' ' GLU . . . . . 0.744 ' CG ' ' H ' ' A' ' 278' ' ' ALA . 4.6 tt0 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 277' ' ' VAL . . . . . 0.909 ' O ' HD22 ' A' ' 356' ' ' LEU . 2.3 t -66.33 -16.44 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 278' ' ' ALA . . . . . 0.788 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -86.48 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 0.843 ' O ' HD13 ' A' ' 279' ' ' ILE . 0.1 OUTLIER -36.51 -38.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 280' ' ' ARG . . . . . 0.624 ' HG3' ' H ' ' A' ' 281' ' ' ILE . 0.0 OUTLIER -76.56 -48.12 20.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 281' ' ' ILE . . . . . 0.717 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.1 OUTLIER -74.5 -44.79 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 282' ' ' PHE . . . . . 0.788 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.6 OUTLIER -50.78 -45.36 59.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 283' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 284' ' ' GLY . 12.5 pt20 -69.45 -34.3 74.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 284' ' ' GLY . . . . . 0.483 ' N ' ' HG3' ' A' ' 283' ' ' GLN . . . -84.24 -56.53 2.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 285' ' ' CYS . . . . . 0.717 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.0 OUTLIER -54.74 -16.35 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 286' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 4.4 tm0? -103.32 -27.98 12.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 287' ' ' PHE . . . . . 0.8 ' O ' HG22 ' A' ' 290' ' ' VAL . 29.0 t80 -51.48 -45.37 62.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -22.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 289' ' ' SER . . . . . 0.57 ' O ' HG12 ' A' ' 293' ' ' VAL . 0.3 OUTLIER -80.04 -54.2 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.023 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 290' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 287' ' ' PHE . 3.5 m -50.94 -22.46 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 291' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 294' ' ' GLN . 57.2 mt-10 -84.11 -59.76 2.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 292' ' ' ALA . . . . . 0.684 ' HB3' ' CD1' ' A' ' 326' ' ' ILE . . . -34.67 -56.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.245 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 293' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 289' ' ' SER . 0.3 OUTLIER -39.59 -45.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 294' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.15 -27.63 59.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 295' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 292' ' ' ALA . 10.5 mm-40 -76.55 -50.13 14.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 296' ' ' ILE . . . . . 0.977 HG21 HD21 ' A' ' 318' ' ' LEU . 2.3 mp -46.98 -65.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 297' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -37.36 -62.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.31 -27.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 299' ' ' TYR . . . . . 0.774 ' O ' ' HB2' ' A' ' 302' ' ' SER . 1.0 OUTLIER -105.5 -36.35 7.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 1.013 ' HB1' ' CE2' ' A' ' 306' ' ' PHE . . . -53.47 -54.56 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -49.89 -0.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 302' ' ' SER . . . . . 0.774 ' HB2' ' O ' ' A' ' 299' ' ' TYR . 8.6 t -71.2 -41.19 70.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 303' ' ' ILE . . . . . 0.968 HG21 HD21 ' A' ' 413' ' ' LEU . 0.5 OUTLIER -69.82 124.32 90.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 45.91 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.462 1.77 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 305' ' ' GLY . . . . . 0.568 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -159.29 -29.1 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 1.013 ' CE2' ' HB1' ' A' ' 300' ' ' ALA . 2.7 t80 -56.48 -61.08 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -22.35 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -75.43 -13.76 60.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.839 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.9 mt -67.47 -108.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 310' ' ' ASP . . . . . 0.774 ' HB3' ' HB2' ' A' ' 313' ' ' ASP . 8.7 t70 -146.91 155.13 42.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 311' ' ' LEU . . . . . 0.506 HD23 ' H ' ' A' ' 311' ' ' LEU . 0.1 OUTLIER -53.37 -48.39 68.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 312' ' ' ASN . . . . . 0.902 ' HB2' HD11 ' A' ' 401' ' ' LEU . 15.2 m120 -81.21 -58.87 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 313' ' ' ASP . . . . . 1.113 ' OD2' HD11 ' A' ' 406' ' ' ILE . 6.3 t0 -36.52 -46.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 314' ' ' GLN . . . . . 0.669 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 7.3 mt-30 -61.57 -60.46 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.73 -48.31 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.736 HG21 ' C ' ' A' ' 399' ' ' GLY . 3.0 m -44.32 -55.26 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 317' ' ' LEU . . . . . 0.968 HD11 HD21 ' A' ' 400' ' ' LEU . 0.0 OUTLIER -48.5 -55.51 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 318' ' ' LEU . . . . . 0.977 HD21 HG21 ' A' ' 296' ' ' ILE . 0.2 OUTLIER -60.23 -43.41 96.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 319' ' ' LYS . . . . . 0.616 ' NZ ' ' O ' ' A' ' 473' ' ' TYR . 0.7 OUTLIER -45.1 -29.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 320' ' ' TYR . . . . . 0.481 ' CB ' ' HB3' ' A' ' 397' ' ' ARG . 1.9 t80 -131.97 4.98 4.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 321' ' ' GLY . . . . . 0.782 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -103.92 -47.48 1.26 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 322' ' ' VAL . . . . . 0.951 ' HB ' HD23 ' A' ' 318' ' ' LEU . 2.7 p -44.59 -24.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 323' ' ' HIS . . . . . 0.512 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 15.2 m80 -66.14 -58.7 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.563 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 324' ' ' GLU . . . . . 0.883 ' HA ' HD12 ' A' ' 442' ' ' LEU . 2.8 mt-10 -70.31 6.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 325' ' ' ILE . . . . . 0.872 ' O ' HG22 ' A' ' 328' ' ' THR . 1.1 mp -106.6 -46.67 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 326' ' ' ILE . . . . . 0.828 HD11 HG22 ' A' ' 322' ' ' VAL . 10.6 mt -79.3 -39.64 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.759 ' CD2' HG22 ' A' ' 446' ' ' VAL . 27.4 m-85 -76.71 -20.91 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 328' ' ' THR . . . . . 0.876 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 6.5 t -72.52 -56.89 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.555 ' N ' ' CG2' ' A' ' 328' ' ' THR . 13.7 ptt? -78.86 -21.48 47.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.62 ' O ' ' N ' ' A' ' 333' ' ' LEU . 2.3 mt -51.3 -57.27 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 331' ' ' ALA . . . . . 1.033 ' HB2' ' CE2' ' A' ' 370' ' ' PHE . . . -32.58 -50.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 332' ' ' SER . . . . . 0.654 ' O ' ' NE ' ' A' ' 234' ' ' ARG . 69.1 m -60.91 -45.8 93.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.053 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.695 HD13 ' N ' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -70.98 13.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 334' ' ' MET . . . . . 0.696 ' HB2' ' O ' ' A' ' 331' ' ' ALA . 3.2 mmt -94.49 170.46 9.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 335' ' ' ASN . . . . . 0.56 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 0.8 OUTLIER -145.68 165.26 29.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 336' ' ' LYS . . . . . 0.56 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -40.07 -51.8 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 337' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 5.7 m-20 -143.62 42.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 338' ' ' GLY . . . . . 0.776 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -163.93 175.84 40.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 339' ' ' VAL . . . . . 0.733 ' O ' HG23 ' A' ' 341' ' ' ILE . 7.4 p -143.41 132.96 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 0.869 HD23 ' HB1' ' A' ' 233' ' ' ALA . 0.4 OUTLIER -53.71 128.9 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 341' ' ' ILE . . . . . 0.733 HG23 ' O ' ' A' ' 339' ' ' VAL . 3.1 pt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 346' ' ' GLY . . . . . 0.537 ' HA3' ' CA ' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 0.67 ' HA ' HG23 ' A' ' 341' ' ' ILE . 0.3 OUTLIER -170.65 149.3 3.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 110.974 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.603 ' H ' HG23 ' A' ' 341' ' ' ILE . 0.0 OUTLIER -96.8 121.86 39.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 349' ' ' THR . . . . . 0.776 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 1.3 p -69.6 150.81 46.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 350' ' ' ARG . . . . . 0.824 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 25.6 ttp180 -65.33 -52.93 50.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 351' ' ' GLU . . . . . 0.595 ' O ' ' CB ' ' A' ' 355' ' ' SER . 0.8 OUTLIER -39.9 -23.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 352' ' ' PHE . . . . . 0.59 ' CD2' ' HE3' ' A' ' 348' ' ' MET . 0.5 OUTLIER -87.04 -61.29 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 353' ' ' LEU . . . . . 0.719 ' HA ' HD21 ' A' ' 356' ' ' LEU . 0.3 OUTLIER -68.19 -24.55 64.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 354' ' ' LYS . . . . . 0.75 ' HA ' ' O ' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -91.44 -19.74 22.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 355' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 0.0 OUTLIER -55.99 -42.81 76.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.979 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 356' ' ' LEU . . . . . 1.108 HD12 ' HA2' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -41.68 175.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 357' ' ' ARG . . . . . 0.696 ' HG3' ' C ' ' A' ' 360' ' ' PHE . 0.6 OUTLIER -34.55 129.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 358' ' ' LYS . . . . . 0.801 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -31.78 -53.5 0.5 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 359' ' ' PRO . . . . . 0.801 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.01 -90.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 360' ' ' PHE . . . . . 1.206 ' CE1' HD13 ' A' ' 456' ' ' ILE . 2.9 m-85 -67.84 39.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 361' ' ' GLY . . . . . 1.108 ' HA2' HD12 ' A' ' 356' ' ' LEU . . . -138.65 22.15 3.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 362' ' ' ASP . . . . . 0.55 ' OD1' ' O ' ' A' ' 358' ' ' LYS . 0.0 OUTLIER -172.03 72.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 363' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -97.09 6.73 48.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 364' ' ' MET . . . . . 0.549 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 1.1 ttt -121.07 -6.28 9.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 365' ' ' GLU . . . . . 0.824 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 4.6 tp10 -58.61 -38.3 63.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.96 -18.97 18.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 367' ' ' LYS . . . . . 0.634 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 25.1 mttp -77.1 -47.86 19.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 368' ' ' PHE . . . . . 0.679 ' CE1' ' HB ' ' A' ' 339' ' ' VAL . 4.3 m-30 -58.45 -48.38 80.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 369' ' ' GLU . . . . . 0.655 ' O ' HG12 ' A' ' 372' ' ' VAL . 4.5 tt0 -60.64 -46.81 88.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 370' ' ' PHE . . . . . 1.033 ' CE2' ' HB2' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -60.07 -35.73 75.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 371' ' ' ALA . . . . . 0.897 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -66.74 -60.72 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 372' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 369' ' ' GLU . 4.3 p -50.38 -20.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 373' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -95.52 -26.5 15.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 374' ' ' PHE . . . . . 0.696 ' CZ ' ' HG3' ' A' ' 438' ' ' LYS . 0.2 OUTLIER -87.04 -41.52 13.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 375' ' ' ASN . . . . . 0.518 ' OD1' ' C ' ' A' ' 371' ' ' ALA . 3.1 m120 -55.24 -16.95 3.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -90.64 35.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 1.0 OUTLIER -173.71 4.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 378' ' ' GLU . . . . . 0.743 ' O ' HD23 ' A' ' 379' ' ' LEU . 1.1 mt-10 -80.18 -174.19 4.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 378' ' ' GLU . 22.2 mt -134.26 -126.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 380' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 382' ' ' SER . 56.8 p30 -116.84 140.23 49.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 381' ' ' ASP . . . . . 0.836 ' HA ' HD12 ' A' ' 384' ' ' LEU . 60.4 m-20 -27.05 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 382' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 380' ' ' ASP . 0.3 OUTLIER -46.51 -68.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 383' ' ' ASP . . . . . 0.406 ' OD2' ' CB ' ' A' ' 379' ' ' LEU . 8.7 m-20 -58.93 -25.25 63.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 381' ' ' ASP . 10.5 mt -75.02 -53.3 9.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 385' ' ' ALA . . . . . 0.717 ' HB3' ' HD1' ' A' ' 219' ' ' TYR . . . -66.57 17.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.694 ' H ' ' C ' ' A' ' 384' ' ' LEU . 3.1 mm -118.69 -67.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 387' ' ' PHE . . . . . 1.099 ' O ' HG22 ' A' ' 390' ' ' VAL . 0.3 OUTLIER -50.26 -31.39 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 388' ' ' ILE . . . . . 0.599 HG12 HG13 ' A' ' 325' ' ' ILE . 0.0 OUTLIER -53.03 -48.4 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 389' ' ' ALA . . . . . 0.448 ' O ' HD13 ' A' ' 413' ' ' LEU . . . -62.9 -33.12 74.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 1.099 HG22 ' O ' ' A' ' 387' ' ' PHE . 0.9 OUTLIER -67.32 -23.6 30.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.86 HG22 HD12 ' A' ' 325' ' ' ILE . 68.0 mt -79.94 -22.54 11.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 392' ' ' ILE . . . . . 0.746 ' CG2' ' CE1' ' A' ' 306' ' ' PHE . 7.0 mm -75.86 -56.21 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.775 ' CD1' ' HB ' ' A' ' 409' ' ' ILE . 4.1 mm? -66.63 35.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 394' ' ' SER . . . . . 0.678 ' H ' ' C ' ' A' ' 392' ' ' ILE . 75.2 m -86.95 93.9 9.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 395' ' ' GLY . . . . . 0.574 ' N ' ' CG2' ' A' ' 406' ' ' ILE . . . -74.31 63.03 2.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 0.0 111.069 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 396' ' ' ASP . . . . . 0.409 ' C ' ' HD3' ' A' ' 397' ' ' ARG . 1.3 t70 -149.35 18.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 397' ' ' ARG . . . . . 0.547 ' HG3' ' HA ' ' A' ' 317' ' ' LEU . 4.0 mmt180 -95.68 155.76 38.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 398' ' ' PRO . . . . . 0.572 ' O ' HG23 ' A' ' 316' ' ' THR . 18.2 Cg_endo -75.01 128.04 11.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 399' ' ' GLY . . . . . 0.736 ' C ' HG21 ' A' ' 316' ' ' THR . . . 91.62 37.3 6.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 1.095 HD23 ' OD1' ' A' ' 313' ' ' ASP . 0.2 OUTLIER -87.96 139.92 30.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.902 HD11 ' HB2' ' A' ' 312' ' ' ASN . 17.9 mt -97.69 -68.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 402' ' ' ASN . . . . . 1.333 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 18.1 m-20 -110.07 83.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 403' ' ' VAL . . . . . 0.932 ' HA ' HD13 ' A' ' 406' ' ' ILE . 1.2 t -69.18 -3.11 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.664 ' N ' ' CD ' ' A' ' 405' ' ' PRO . 3.0 mtmt -79.45 -42.91 1.61 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 405' ' ' PRO . . . . . 1.333 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -24.16 13.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 406' ' ' ILE . . . . . 1.267 ' CD1' ' O ' ' A' ' 402' ' ' ASN . 4.1 mp -70.51 -51.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.2 -18.33 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 408' ' ' ASP . . . . . 0.558 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 93.4 m-20 -79.25 -58.11 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 409' ' ' ILE . . . . . 0.775 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 20.3 mm -58.03 -25.15 25.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 410' ' ' GLN . . . . . 0.761 ' OE1' HD11 ' A' ' 414' ' ' LEU . 0.0 OUTLIER -71.14 -43.97 66.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -46.97 -25.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 412' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 410' ' ' GLN . 1.0 OUTLIER -86.58 -50.63 6.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.968 HD21 HG21 ' A' ' 303' ' ' ILE . 2.7 mt -54.31 -41.45 69.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.825 HD12 ' HB ' ' A' ' 390' ' ' VAL . 9.1 mp -60.36 -46.16 90.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.635 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 40.6 mt-30 -51.96 -57.61 8.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 1.086 ' HB2' HD23 ' A' ' 214' ' ' LEU . . . -46.25 -50.6 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 417' ' ' LEU . . . . . 0.974 HD22 ' C ' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -46.15 -82.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 418' ' ' GLU . . . . . 0.891 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.9 OUTLIER -56.01 -17.09 5.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 1.187 ' CD1' HD22 ' A' ' 211' ' ' LEU . 0.3 OUTLIER -68.58 -82.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 420' ' ' GLN . . . . . 0.768 ' N ' HD23 ' A' ' 419' ' ' LEU . 0.0 OUTLIER -60.83 -5.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.853 HD22 ' O ' ' A' ' 421' ' ' LEU . 0.1 OUTLIER -88.5 -54.29 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 422' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 418' ' ' GLU . 0.0 OUTLIER -78.83 9.91 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.661 ' CD1' HD21 ' A' ' 211' ' ' LEU . 12.1 mt -118.59 -39.84 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.628 ' CG ' ' CD2' ' A' ' 425' ' ' HIS . 42.1 p-10 -82.3 -13.44 56.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.747 ' CE1' HD23 ' A' ' 421' ' ' LEU . 33.0 p80 172.37 76.41 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.52 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.98 153.67 42.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 428' ' ' SER . 29.8 tt0 175.5 134.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 428' ' ' SER . . . . . 0.622 ' CB ' HD23 ' A' ' 431' ' ' LEU . 0.3 OUTLIER 87.17 -148.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 3.0 p -124.87 -77.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 430' ' ' GLN . . . . . 0.578 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -97.58 26.92 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 431' ' ' LEU . . . . . 0.622 HD23 ' CB ' ' A' ' 428' ' ' SER . 0.2 OUTLIER -39.01 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 432' ' ' PHE . . . . . 0.74 ' CD1' ' C ' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -85.45 -49.25 8.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 433' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -44.17 -23.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 434' ' ' LYS . . . . . 0.579 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 1.2 ptpm? -99.72 -47.76 4.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 435' ' ' LEU . . . . . 0.516 ' HA ' ' CE ' ' A' ' 438' ' ' LYS . 0.4 OUTLIER -37.51 -38.8 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' A' ' 439' ' ' MET . 50.9 mt -78.88 -48.78 14.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 437' ' ' GLN . . . . . 0.65 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 2.0 mm-40 -42.12 -17.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.696 ' HG3' ' CZ ' ' A' ' 374' ' ' PHE . 0.2 OUTLIER -52.43 -25.98 11.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 439' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 0.0 OUTLIER -25.85 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.642 ' O ' ' N ' ' A' ' 444' ' ' GLN . 73.1 p -30.85 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.521 ' O ' HG13 ' A' ' 445' ' ' ILE . 1.3 m-20 -41.05 -25.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 442' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 324' ' ' GLU . 0.5 OUTLIER -75.83 -82.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 443' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 439' ' ' MET . 1.2 ttt180 -58.25 -25.62 61.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.841 ' O ' HG22 ' A' ' 447' ' ' THR . 0.0 OUTLIER -71.55 -73.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 1.114 HG22 ' CE1' ' A' ' 449' ' ' HIS . 25.4 mt -49.09 -27.83 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.759 HG22 ' CD2' ' A' ' 327' ' ' TYR . 1.2 t -60.48 -71.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 447' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 444' ' ' GLN . 4.3 t -40.66 -28.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 446' ' ' VAL . 1.2 mm-40 -77.24 -53.74 7.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' HIS . . . . . 1.114 ' CE1' HG22 ' A' ' 445' ' ' ILE . 33.9 m170 -43.83 -27.39 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' VAL . . . . . 0.849 HG12 ' HB2' ' A' ' 454' ' ' GLN . 11.4 t -80.83 -57.71 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 451' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 450' ' ' VAL . 0.4 OUTLIER -36.74 -29.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 450' ' ' VAL . 6.1 mt -82.22 -75.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 457' ' ' LYS . 2.7 pp -58.91 -13.44 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 454' ' ' GLN . . . . . 0.849 ' HB2' HG12 ' A' ' 450' ' ' VAL . 0.2 OUTLIER -80.72 -51.34 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 455' ' ' VAL . 53.2 t -70.97 -5.17 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' ILE . . . . . 1.206 HD13 ' CE1' ' A' ' 360' ' ' PHE . 1.0 OUTLIER -105.04 -59.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 457' ' ' LYS . . . . . 0.624 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 13.0 pttt -49.32 -20.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' LYS . . . . . 0.655 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -101.03 -39.44 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 459' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 459' ' ' THR . 2.2 m -132.3 48.34 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.801 ' N ' ' O ' ' A' ' 456' ' ' ILE . 3.1 mm-40 -42.89 167.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.3 OUTLIER -67.5 -23.16 65.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 462' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.9 OUTLIER 171.66 59.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 463' ' ' MET . . . . . 0.447 ' HB3' ' O ' ' A' ' 462' ' ' ASP . 0.0 OUTLIER 65.2 118.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 171.47 92.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.589 ' HA ' ' CE1' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -174.57 -145.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 466' ' ' HIS . . . . . 0.972 ' CG ' ' HD2' ' A' ' 467' ' ' PRO . 3.0 t-80 -117.18 156.71 48.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.619 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 467' ' ' PRO . . . . . 0.972 ' HD2' ' CG ' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.98 129.72 12.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 467' ' ' PRO . 0.2 OUTLIER 83.22 4.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 469' ' ' LEU . . . . . 0.658 HD23 ' H ' ' A' ' 473' ' ' TYR . 0.8 OUTLIER 80.32 69.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.705 ' HA ' ' CG ' ' A' ' 466' ' ' HIS . 12.9 pt20 47.31 52.06 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 471' ' ' GLU . . . . . 0.554 ' H ' ' CE1' ' A' ' 466' ' ' HIS . 38.4 mt-10 61.42 32.67 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 472' ' ' ILE . . . . . 0.509 ' O ' ' C ' ' A' ' 473' ' ' TYR . 0.3 OUTLIER 67.42 82.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 473' ' ' TYR . . . . . 0.658 ' H ' HD23 ' A' ' 469' ' ' LEU . 53.3 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 210' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 214' ' ' LEU . 48.3 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 1.028 ' CD1' HD11 ' A' ' 419' ' ' LEU . 0.2 OUTLIER -43.89 -83.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 212' ' ' ARG . . . . . 0.515 ' N ' HD12 ' A' ' 211' ' ' LEU . 0.2 OUTLIER -91.17 -9.48 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -76.63 -59.92 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 214' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 416' ' ' ALA . 2.9 tp -57.48 -51.54 69.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -43.8 -63.42 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 216' ' ' LYS . . . . . 0.632 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -52.88 -27.02 16.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 217' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 220' ' ' ASP . 16.4 t60 -70.94 -72.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 109.588 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.674 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 0.3 OUTLIER -34.49 -53.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 219' ' ' TYR . . . . . 0.648 ' CE1' ' CD1' ' A' ' 223' ' ' ILE . 15.2 t80 -68.67 -35.66 77.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 220' ' ' ASP . . . . . 0.632 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 0.4 OUTLIER -59.66 -74.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 221' ' ' SER . . . . . 0.713 ' CB ' ' CB ' ' A' ' 302' ' ' SER . 33.0 p -52.31 -25.51 9.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 222' ' ' TYR . . . . . 0.736 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 30.0 t80 -73.29 -55.57 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 223' ' ' ILE . . . . . 0.648 ' CD1' ' CE1' ' A' ' 219' ' ' TYR . 0.9 OUTLIER -48.88 -12.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 224' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.5 OUTLIER -93.21 -45.36 7.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 225' ' ' SER . . . . . 0.743 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 47.7 t -39.48 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 226' ' ' PHE . . . . . 0.68 ' CD1' ' OE1' ' A' ' 295' ' ' GLU . 1.3 t80 -141.2 144.82 36.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 227' ' ' PRO . . . . . 0.652 ' HD2' ' CD1' ' A' ' 226' ' ' PHE . 18.3 Cg_endo -74.96 -40.27 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.532 1.806 . . . . 0.0 111.041 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.881 HD12 ' HG ' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -60.83 115.48 3.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 229' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 227' ' ' PRO . 44.3 p -135.38 -161.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 230' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -83.04 -27.79 30.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 231' ' ' ALA . . . . . 0.837 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -78.63 -40.51 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 232' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 235' ' ' ALA . 1.5 mttm -75.53 -41.36 55.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 233' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 237' ' ' LEU . . . -66.13 -51.08 61.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.908 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -74.7 -5.09 41.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 235' ' ' ALA . . . . . 0.906 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -73.57 -67.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.6 HG21 ' HA ' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -63.36 -35.08 70.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 237' ' ' LEU . . . . . 1.058 HD13 HD21 ' A' ' 340' ' ' LEU . 0.2 OUTLIER -59.67 -34.77 73.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 238' ' ' THR . . . . . 0.625 ' O ' ' C ' ' A' ' 239' ' ' GLY . 0.7 OUTLIER -149.78 -41.52 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 239' ' ' GLY . . . . . 0.906 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 246' ' ' PRO . . . . . 0.83 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 247' ' ' PHE . . . . . 0.774 ' O ' ' CG ' ' A' ' 247' ' ' PHE . 0.5 OUTLIER -16.0 72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 1.044 HG23 ' CZ ' ' A' ' 347' ' ' PHE . 13.1 p -57.68 138.48 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 249' ' ' ILE . . . . . 0.766 HG21 ' CD1' ' A' ' 341' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 276' ' ' GLU . . . . . 0.652 ' OE1' ' HB3' ' A' ' 278' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 277' ' ' VAL . . . . . 0.495 ' CG2' ' HB3' ' A' ' 356' ' ' LEU . 6.1 p -34.94 -43.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 278' ' ' ALA . . . . . 0.733 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -59.05 -71.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 0.87 HD11 ' HA ' ' A' ' 465' ' ' LEU . 0.4 OUTLIER -34.11 -33.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 280' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -76.21 -54.03 7.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 281' ' ' ILE . . . . . 0.697 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.6 OUTLIER -76.76 -42.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 282' ' ' PHE . . . . . 0.733 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.7 OUTLIER -54.33 -45.82 72.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 283' ' ' GLN . . . . . 0.469 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 14.0 pt20 -68.77 -34.64 75.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 284' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -82.95 -59.22 2.22 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 285' ' ' CYS . . . . . 0.697 ' N ' ' O ' ' A' ' 281' ' ' ILE . 8.1 p -53.22 -16.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 286' ' ' GLN . . . . . 0.53 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 24.2 tt0 -104.6 -25.26 12.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 287' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 290' ' ' VAL . 26.6 t80 -53.01 -32.06 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -21.48 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 289' ' ' SER . . . . . 0.537 ' O ' HG23 ' A' ' 293' ' ' VAL . 31.1 t -84.76 -56.58 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 290' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.8 m -47.41 -28.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 291' ' ' GLU . . . . . 0.586 ' O ' ' N ' ' A' ' 294' ' ' GLN . 28.1 mt-10 -77.2 -60.86 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 292' ' ' ALA . . . . . 0.781 ' HB1' HG12 ' A' ' 326' ' ' ILE . . . -36.4 -53.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 293' ' ' VAL . . . . . 0.71 ' HA ' HG21 ' A' ' 322' ' ' VAL . 23.4 t -42.75 -40.35 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 294' ' ' GLN . . . . . 0.586 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.9 mt-30 -77.3 -26.7 52.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 295' ' ' GLU . . . . . 0.68 ' OE1' ' CD1' ' A' ' 226' ' ' PHE . 8.3 mt-10 -78.68 -47.45 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 296' ' ' ILE . . . . . 0.76 HG12 HG21 ' A' ' 325' ' ' ILE . 1.6 mp -51.35 -63.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 297' ' ' THR . . . . . 0.517 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -39.64 -62.53 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 297' ' ' THR . 0.1 OUTLIER -42.77 -26.6 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 299' ' ' TYR . . . . . 0.743 ' HB2' ' HB2' ' A' ' 225' ' ' SER . 0.8 OUTLIER -104.84 -34.38 8.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.965 ' HB1' ' CE2' ' A' ' 306' ' ' PHE . . . -59.04 -54.62 45.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 301' ' ' LYS . . . . . 0.46 ' HG2' HG22 ' A' ' 307' ' ' VAL . 56.6 mttt -53.75 1.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 302' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 300' ' ' ALA . 18.2 p -74.5 -38.96 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 303' ' ' ILE . . . . . 0.896 HG21 HD21 ' A' ' 413' ' ' LEU . 0.7 OUTLIER -64.31 126.56 90.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 46.96 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 305' ' ' GLY . . . . . 0.562 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -162.52 -28.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.965 ' CE2' ' HB1' ' A' ' 300' ' ' ALA . 1.3 t80 -56.84 -60.69 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.749 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 307' ' ' VAL . . . . . 0.46 HG22 ' HG2' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -65.91 -23.21 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -71.82 -15.44 62.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.798 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.2 mt -68.88 -109.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 310' ' ' ASP . . . . . 0.77 ' CG ' HD12 ' A' ' 401' ' ' LEU . 7.2 t70 -141.88 153.28 44.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 311' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 311' ' ' LEU . 0.2 OUTLIER -56.36 -47.09 79.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 312' ' ' ASN . . . . . 0.859 ' HB2' HD11 ' A' ' 401' ' ' LEU . 58.3 m-80 -79.87 -59.3 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 313' ' ' ASP . . . . . 1.003 ' OD1' HD11 ' A' ' 406' ' ' ILE . 22.9 t0 -35.84 -52.01 0.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 314' ' ' GLN . . . . . 0.728 ' HA ' HD21 ' A' ' 317' ' ' LEU . 7.4 mt-30 -57.83 -50.68 72.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 315' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 312' ' ' ASN . 26.3 t -63.15 -47.45 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.897 HG21 ' C ' ' A' ' 399' ' ' GLY . 1.6 m -47.52 -63.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 317' ' ' LEU . . . . . 0.728 HD21 ' HA ' ' A' ' 314' ' ' GLN . 1.0 OUTLIER -46.78 -46.71 20.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 318' ' ' LEU . . . . . 0.874 HD23 ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -64.29 -46.34 84.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 319' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 315' ' ' VAL . 4.8 tptt -40.28 -43.33 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 320' ' ' TYR . . . . . 0.57 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 2.5 m-85 -116.38 3.61 13.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 321' ' ' GLY . . . . . 0.708 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -102.06 -54.05 0.93 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 322' ' ' VAL . . . . . 0.874 ' HB ' HD23 ' A' ' 318' ' ' LEU . 1.5 p -41.3 -25.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 323' ' ' HIS . . . . . 0.608 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 21.9 m-70 -71.52 -45.95 61.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 324' ' ' GLU . . . . . 0.769 ' O ' ' HB ' ' A' ' 328' ' ' THR . 5.0 mt-10 -73.7 5.25 4.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 325' ' ' ILE . . . . . 0.814 ' CD1' HG22 ' A' ' 391' ' ' ILE . 1.1 mp -110.62 -47.36 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 326' ' ' ILE . . . . . 0.81 HD11 HG22 ' A' ' 322' ' ' VAL . 3.2 mt -77.01 -39.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.679 ' CD2' HG22 ' A' ' 446' ' ' VAL . 21.5 m-30 -76.73 -22.74 53.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 328' ' ' THR . . . . . 0.947 ' N ' HD11 ' A' ' 442' ' ' LEU . 0.6 OUTLIER -72.43 -60.2 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.635 ' N ' ' CG2' ' A' ' 328' ' ' THR . 19.9 ptt? -73.96 -19.83 60.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.572 ' CG ' ' O ' ' A' ' 326' ' ' ILE . 1.8 mt -49.94 -45.83 51.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 331' ' ' ALA . . . . . 0.8 ' HB1' ' CB ' ' A' ' 371' ' ' ALA . . . -44.3 -54.41 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 332' ' ' SER . . . . . 0.908 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 56.8 m -58.27 -21.49 48.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.017 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.881 ' HG ' HD12 ' A' ' 228' ' ' LEU . 0.0 OUTLIER -94.65 17.51 13.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 334' ' ' MET . . . . . 0.656 ' HG3' ' HA ' ' A' ' 368' ' ' PHE . 5.8 mmt -99.79 178.02 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 335' ' ' ASN . . . . . 0.627 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.8 t-20 -145.67 169.67 18.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 336' ' ' LYS . . . . . 0.755 ' O ' ' CZ ' ' A' ' 368' ' ' PHE . 0.0 OUTLIER -49.94 -46.8 52.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 337' ' ' ASP . . . . . 0.547 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 0.5 OUTLIER -140.59 39.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 338' ' ' GLY . . . . . 0.71 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -169.93 -169.43 33.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 339' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 341' ' ' ILE . 0.1 OUTLIER -153.13 128.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 1.058 HD21 HD13 ' A' ' 237' ' ' LEU . 3.5 mm? -39.2 159.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 341' ' ' ILE . . . . . 0.834 HG23 ' HA ' ' A' ' 347' ' ' PHE . 1.4 pt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 346' ' ' GLY . . . . . 0.67 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 1.044 ' CZ ' HG23 ' A' ' 248' ' ' VAL . 0.3 OUTLIER -168.91 133.55 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.829 ' HB3' HD21 ' A' ' 353' ' ' LEU . 9.0 mmm -88.05 115.75 25.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 349' ' ' THR . . . . . 0.71 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.0 p -61.97 150.49 37.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 350' ' ' ARG . . . . . 0.722 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 2.1 ttm180 -64.23 -51.68 62.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 351' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 355' ' ' SER . 0.0 OUTLIER -45.53 -18.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 352' ' ' PHE . . . . . 0.635 ' CD2' ' SD ' ' A' ' 348' ' ' MET . 0.9 OUTLIER -90.12 -62.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 353' ' ' LEU . . . . . 0.829 HD21 ' HB3' ' A' ' 348' ' ' MET . 0.2 OUTLIER -55.06 -52.77 62.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 354' ' ' LYS . . . . . 0.667 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.2 OUTLIER -61.88 -34.49 76.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 355' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 0.6 OUTLIER -54.01 75.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 356' ' ' LEU . . . . . 0.667 ' N ' ' O ' ' A' ' 354' ' ' LYS . 0.2 OUTLIER 174.27 -166.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 357' ' ' ARG . . . . . 0.608 ' NE ' ' OE1' ' A' ' 276' ' ' GLU . 2.4 mtt180 -26.58 124.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 358' ' ' LYS . . . . . 0.788 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.67 -52.73 1.42 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 359' ' ' PRO . . . . . 0.788 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.0 -71.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.56 1.821 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 360' ' ' PHE . . . . . 0.712 ' CZ ' ' CD2' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -46.86 -13.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 361' ' ' GLY . . . . . 0.611 ' CA ' HD12 ' A' ' 356' ' ' LEU . . . -107.61 51.05 0.75 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 362' ' ' ASP . . . . . 0.65 ' HA ' ' HG3' ' A' ' 354' ' ' LYS . 1.0 OUTLIER 169.51 61.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 109.245 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 363' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 364' ' ' MET . 0.1 OUTLIER -121.78 -8.73 8.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 364' ' ' MET . . . . . 0.538 ' HB2' ' CE1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -125.52 0.18 7.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 365' ' ' GLU . . . . . 0.722 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 9.0 tp10 -68.0 -37.84 12.53 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.813 ' HB2' HG23 ' A' ' 445' ' ' ILE . 18.4 Cg_endo -74.99 -25.97 11.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 367' ' ' LYS . . . . . 0.594 ' CB ' ' CE ' ' A' ' 334' ' ' MET . 20.3 mtmm -72.28 -48.48 42.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 368' ' ' PHE . . . . . 0.755 ' CZ ' ' O ' ' A' ' 336' ' ' LYS . 0.0 OUTLIER -69.82 -39.67 76.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -58.24 -46.94 85.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 370' ' ' PHE . . . . . 1.06 ' CD2' HD11 ' A' ' 445' ' ' ILE . 0.6 OUTLIER -73.63 -33.01 64.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 371' ' ' ALA . . . . . 0.8 ' CB ' ' HB1' ' A' ' 331' ' ' ALA . . . -55.93 -47.99 76.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 4.7 t -61.18 -14.37 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 373' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -102.89 -25.68 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 374' ' ' PHE . . . . . 0.625 ' CZ ' ' HG3' ' A' ' 438' ' ' LYS . 0.3 OUTLIER -90.58 -35.56 14.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 375' ' ' ASN . . . . . 0.47 ' OD1' ' NE ' ' A' ' 234' ' ' ARG . 2.3 m-80 -55.8 -11.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -86.0 28.7 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 0.8 OUTLIER -160.68 3.68 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 378' ' ' GLU . . . . . 0.433 ' OE1' ' OG ' ' A' ' 332' ' ' SER . 0.2 OUTLIER -81.91 128.31 33.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.811 HD12 ' CG ' ' A' ' 425' ' ' HIS . 0.4 OUTLIER -83.5 -107.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 380' ' ' ASP . . . . . 0.591 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 52.3 p30 -131.11 142.07 50.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 381' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 385' ' ' ALA . 10.4 m-20 -35.75 -29.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 382' ' ' SER . . . . . 0.61 ' HA ' ' CD1' ' A' ' 219' ' ' TYR . 62.1 m -57.29 -67.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 383' ' ' ASP . . . . . 0.538 ' OD1' ' NE2' ' A' ' 420' ' ' GLN . 1.7 m-20 -58.26 -31.7 67.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.674 ' O ' ' CD2' ' A' ' 387' ' ' PHE . 9.4 mt -71.23 -58.52 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 385' ' ' ALA . . . . . 0.713 ' HB1' ' CG ' ' A' ' 222' ' ' TYR . . . -33.91 -38.59 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.471 ' O ' ' C ' ' A' ' 387' ' ' PHE . 2.6 mt -64.37 -59.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 387' ' ' PHE . . . . . 0.945 ' CE1' HG21 ' A' ' 328' ' ' THR . 0.1 OUTLIER -31.22 -47.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 388' ' ' ILE . . . . . 0.945 ' N ' ' CD1' ' A' ' 387' ' ' PHE . 0.2 OUTLIER -39.52 -66.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 389' ' ' ALA . . . . . 0.734 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -56.33 -27.79 56.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.912 HG22 ' NE2' ' A' ' 410' ' ' GLN . 1.2 t -82.16 3.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.814 HG22 ' CD1' ' A' ' 325' ' ' ILE . 21.0 mm -113.57 -19.97 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 392' ' ' ILE . . . . . 0.702 ' C ' ' H ' ' A' ' 394' ' ' SER . 2.6 pt -93.32 -48.44 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.852 HD23 HD11 ' A' ' 413' ' ' LEU . 1.3 mm? -64.06 15.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 394' ' ' SER . . . . . 0.702 ' H ' ' C ' ' A' ' 392' ' ' ILE . 10.2 m -86.51 106.84 17.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 395' ' ' GLY . . . . . 0.631 ' HA3' HG22 ' A' ' 403' ' ' VAL . . . -81.26 66.71 3.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 396' ' ' ASP . . . . . 0.408 ' OD2' ' NH2' ' A' ' 443' ' ' ARG . 7.5 t0 -114.14 -18.0 11.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 397' ' ' ARG . . . . . 0.582 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -64.14 128.23 92.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 5.44 3.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 399' ' ' GLY . . . . . 0.897 ' C ' HG21 ' A' ' 316' ' ' THR . . . -126.45 34.97 3.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.607 HD13 ' HA2' ' A' ' 395' ' ' GLY . 21.7 mt -91.95 163.16 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.859 HD11 ' HB2' ' A' ' 312' ' ' ASN . 17.5 mt -110.77 -59.77 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 402' ' ' ASN . . . . . 0.775 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 4.5 m-20 -109.95 85.11 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 403' ' ' VAL . . . . . 0.902 ' HA ' HD12 ' A' ' 406' ' ' ILE . 1.0 OUTLIER -78.96 -15.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.618 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -69.15 -49.5 24.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 405' ' ' PRO . . . . . 0.775 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.05 -26.9 10.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 406' ' ' ILE . . . . . 1.003 HD11 ' OD1' ' A' ' 313' ' ' ASP . 56.7 mt -60.3 -81.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -51.17 -21.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 408' ' ' ASP . . . . . 0.618 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 9.0 m-20 -72.03 -53.8 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 409' ' ' ILE . . . . . 0.765 HG22 ' HG ' ' A' ' 393' ' ' LEU . 15.7 mm -58.7 -21.67 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 410' ' ' GLN . . . . . 0.912 ' NE2' HG22 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -73.48 -40.29 64.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.08 -24.58 1.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.83 -57.74 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.896 HD21 HG21 ' A' ' 303' ' ' ILE . 0.2 OUTLIER -51.92 -30.03 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -47.46 59.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.556 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 45.7 mt-30 -47.49 -57.57 5.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.634 ' HB2' HD23 ' A' ' 214' ' ' LEU . . . -56.95 -47.14 81.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 417' ' ' LEU . . . . . 1.058 HD11 ' HB2' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -44.21 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 418' ' ' GLU . . . . . 0.985 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -54.69 -23.15 16.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 1.028 HD11 ' CD1' ' A' ' 211' ' ' LEU . 0.2 OUTLIER -66.55 -82.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 420' ' ' GLN . . . . . 0.584 ' NE2' ' CB ' ' A' ' 382' ' ' SER . 0.0 OUTLIER -55.4 -10.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.533 ' HG ' ' CE1' ' A' ' 425' ' ' HIS . 0.7 OUTLIER -88.68 -50.82 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 422' ' ' LYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 14.5 mtpt -72.08 -3.28 22.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.452 HD12 ' HG ' ' A' ' 419' ' ' LEU . 14.9 mt -102.21 -48.08 4.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.487 ' OD1' ' NE2' ' A' ' 420' ' ' GLN . 3.9 m120 -73.41 -8.69 56.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.811 ' CG ' HD12 ' A' ' 379' ' ' LEU . 0.0 OUTLIER -166.0 69.38 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.617 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.612 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.98 102.89 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 428' ' ' SER . 3.9 tm-20 -172.52 134.08 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 428' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 427' ' ' GLU . 2.7 t 87.37 -152.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 429' ' ' SER . . . . . 0.468 ' C ' ' CG ' ' A' ' 430' ' ' GLN . 8.6 p -148.98 142.09 24.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 430' ' ' GLN . . . . . 0.692 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER 49.07 25.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 27.3 tp -39.94 -29.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 432' ' ' PHE . . . . . 1.058 ' HB2' HD11 ' A' ' 417' ' ' LEU . 37.0 p90 -85.5 -46.94 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 433' ' ' ALA . . . . . 0.692 ' HB3' ' HB2' ' A' ' 430' ' ' GLN . . . -39.49 -27.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 434' ' ' LYS . . . . . 0.512 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.0 OUTLIER -97.09 -46.86 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 435' ' ' LEU . . . . . 0.782 HD11 HD23 ' A' ' 379' ' ' LEU . 0.4 OUTLIER -45.37 -35.07 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.651 HD21 ' HA ' ' A' ' 433' ' ' ALA . 3.6 pp -76.05 -46.04 31.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 437' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 440' ' ' THR . 1.9 mm-40 -47.75 -12.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.625 ' HG3' ' CZ ' ' A' ' 374' ' ' PHE . 0.0 OUTLIER -49.77 -23.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 439' ' ' MET . . . . . 0.55 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.02 -43.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.695 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 53.7 p -34.14 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.855 ' OD2' HD22 ' A' ' 442' ' ' LEU . 0.0 OUTLIER -41.59 -25.23 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 442' ' ' LEU . . . . . 0.947 HD11 ' N ' ' A' ' 328' ' ' THR . 2.5 mm? -77.63 -87.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 443' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' A' ' 439' ' ' MET . 21.0 ttm180 -50.26 -22.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.954 ' O ' HG22 ' A' ' 447' ' ' THR . 0.0 OUTLIER -78.97 -75.54 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 1.06 HD11 ' CD2' ' A' ' 370' ' ' PHE . 9.2 mt -54.02 -34.4 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.679 HG22 ' CD2' ' A' ' 327' ' ' TYR . 52.7 t -61.64 -63.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' THR . . . . . 0.954 HG22 ' O ' ' A' ' 444' ' ' GLN . 13.3 t -45.9 -27.15 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 451' ' ' GLN . 40.9 tt0 -73.83 -57.14 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' HIS . . . . . 0.434 ' CB ' ' HZ1' ' A' ' 367' ' ' LYS . 0.0 OUTLIER -42.15 -31.85 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 450' ' ' VAL . . . . . 0.627 ' O ' ' N ' ' A' ' 454' ' ' GLN . 69.3 t -80.67 -44.2 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 451' ' ' GLN . . . . . 0.59 ' O ' HG23 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -48.52 -23.16 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.74 -67.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 457' ' ' LYS . 0.2 OUTLIER -61.14 -18.09 56.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 454' ' ' GLN . . . . . 0.627 ' N ' ' O ' ' A' ' 450' ' ' VAL . 2.5 tt0 -81.46 -49.36 10.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 451' ' ' GLN . 71.1 t -71.82 -4.89 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 456' ' ' ILE . . . . . 0.86 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.1 OUTLIER -104.65 -61.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 457' ' ' LYS . . . . . 0.65 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 2.1 ptpp? -41.36 -29.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 1.0 OUTLIER -94.24 -39.28 10.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 459' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -127.22 46.58 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.377 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.86 ' N ' ' O ' ' A' ' 456' ' ' ILE . 3.7 mm-40 -42.87 169.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -71.35 -28.5 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.435 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 462' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.6 OUTLIER 169.13 49.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 463' ' ' MET . . . . . 0.404 ' HB3' ' O ' ' A' ' 462' ' ' ASP . 4.8 ttt 62.96 128.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 464' ' ' SER . . . . . 0.459 ' OG ' ' NH2' ' A' ' 357' ' ' ARG . 29.6 p -179.4 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.87 ' HA ' HD11 ' A' ' 279' ' ' ILE . 0.0 OUTLIER 174.16 168.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 466' ' ' HIS . . . . . 1.084 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 15.3 p80 -117.76 -170.58 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 467' ' ' PRO . . . . . 1.084 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.95 -45.76 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.81 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.514 ' O ' ' CG1' ' A' ' 472' ' ' ILE . 1.1 mt -43.6 -20.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 469' ' ' LEU . . . . . 0.718 ' CD2' ' CE1' ' A' ' 466' ' ' HIS . 12.0 mt -92.89 -55.25 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -47.07 -29.57 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -75.79 -53.16 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 472' ' ' ILE . . . . . 0.514 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.1 mm -45.66 -58.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 473' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 473' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 210' ' ' ASP . . . . . 0.868 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 1.154 HD22 ' CD1' ' A' ' 419' ' ' LEU . 0.2 OUTLIER -36.32 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 212' ' ' ARG . . . . . 0.45 ' N ' HD12 ' A' ' 211' ' ' LEU . 0.3 OUTLIER -83.94 -12.7 54.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 213' ' ' ALA . . . . . 0.868 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -72.56 -67.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 214' ' ' LEU . . . . . 1.031 HD23 ' HB2' ' A' ' 416' ' ' ALA . 12.1 tp -53.52 -49.63 67.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -43.46 -67.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 216' ' ' LYS . . . . . 0.795 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -47.55 -31.97 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 217' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 220' ' ' ASP . 17.2 t60 -68.82 -70.34 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.612 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.851 HD23 ' HG ' ' A' ' 214' ' ' LEU . 3.8 mm? -36.82 -50.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 219' ' ' TYR . . . . . 0.853 ' CE1' HD13 ' A' ' 223' ' ' ILE . 93.5 t80 -75.47 -29.26 59.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 220' ' ' ASP . . . . . 0.795 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 4.7 t0 -58.36 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 221' ' ' SER . . . . . 0.726 ' CB ' ' HB2' ' A' ' 302' ' ' SER . 49.4 m -53.34 -27.45 23.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 222' ' ' TYR . . . . . 0.68 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 22.4 t80 -68.85 -53.56 20.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 223' ' ' ILE . . . . . 0.853 HD13 ' CE1' ' A' ' 219' ' ' TYR . 1.0 OUTLIER -53.33 -11.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 224' ' ' LYS . . . . . 0.678 ' HD2' HG22 ' A' ' 223' ' ' ILE . 1.1 mptp? -92.27 -44.27 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 225' ' ' SER . . . . . 0.704 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 31.1 t -44.04 -71.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 226' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 295' ' ' GLU . 0.0 OUTLIER -130.42 140.41 38.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 227' ' ' PRO . . . . . 1.015 ' O ' HG23 ' A' ' 229' ' ' THR . 18.3 Cg_endo -75.01 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.524 1.802 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.79 HD12 ' CD1' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -51.55 119.88 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 229' ' ' THR . . . . . 1.015 HG23 ' O ' ' A' ' 227' ' ' PRO . 64.7 p -131.62 -165.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 230' ' ' LYS . . . . . 0.511 ' CG ' ' HB3' ' A' ' 332' ' ' SER . 3.8 tmtt? -82.49 -27.09 32.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 231' ' ' ALA . . . . . 0.843 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -80.18 -22.06 42.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 232' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -99.95 -35.39 9.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 233' ' ' ALA . . . . . 0.629 ' O ' ' HB2' ' A' ' 237' ' ' LEU . . . -69.14 -49.14 59.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.748 ' N ' ' HD2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -75.15 -20.76 59.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 235' ' ' ALA . . . . . 0.888 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -60.05 -67.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.97 HD12 ' HB3' ' A' ' 246' ' ' PRO . 0.4 OUTLIER -61.36 -38.83 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 237' ' ' LEU . . . . . 0.95 HD13 HD21 ' A' ' 340' ' ' LEU . 0.3 OUTLIER -53.73 -34.59 59.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 238' ' ' THR . . . . . 0.654 ' O ' ' C ' ' A' ' 239' ' ' GLY . 0.0 OUTLIER -158.4 -38.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 239' ' ' GLY . . . . . 0.888 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 246' ' ' PRO . . . . . 0.97 ' HB3' HD12 ' A' ' 236' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 247' ' ' PHE . . . . . 0.576 ' CB ' ' HA3' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -37.18 71.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 1.106 HG13 ' CZ ' ' A' ' 347' ' ' PHE . 21.4 t -55.52 103.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 249' ' ' ILE . . . . . 0.897 HD12 HD12 ' A' ' 341' ' ' ILE . 1.2 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 276' ' ' GLU . . . . . 0.698 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 277' ' ' VAL . . . . . 0.849 HG13 ' HB3' ' A' ' 356' ' ' LEU . 2.4 p -56.47 -15.29 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 278' ' ' ALA . . . . . 0.73 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -83.56 -68.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 0.532 HD11 ' O ' ' A' ' 464' ' ' SER . 0.4 OUTLIER -37.63 -31.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 280' ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' ' 283' ' ' GLN . 11.0 tpt180 -76.97 -55.15 5.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 281' ' ' ILE . . . . . 0.627 HG21 HD21 ' A' ' 356' ' ' LEU . 0.5 OUTLIER -75.51 -43.43 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 282' ' ' PHE . . . . . 0.739 ' CE1' ' CE1' ' A' ' 360' ' ' PHE . 79.6 t80 -53.01 -46.58 68.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 283' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 280' ' ' ARG . 6.4 pt20 -66.94 -34.56 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 284' ' ' GLY . . . . . 0.459 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -81.1 -58.82 2.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 285' ' ' CYS . . . . . 0.563 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.5 OUTLIER -53.7 -15.96 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 286' ' ' GLN . . . . . 0.459 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -105.97 -24.44 12.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 287' ' ' PHE . . . . . 0.572 ' O ' HG22 ' A' ' 290' ' ' VAL . 24.5 t80 -53.65 -32.48 51.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -19.0 61.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 289' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 293' ' ' VAL . 23.9 t -86.88 -55.08 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.005 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 290' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.7 m -49.91 -29.42 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 291' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 294' ' ' GLN . 45.1 mt-10 -78.58 -59.67 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 292' ' ' ALA . . . . . 0.94 ' O ' HD12 ' A' ' 296' ' ' ILE . . . -34.44 -56.24 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 293' ' ' VAL . . . . . 0.768 ' HA ' HG21 ' A' ' 322' ' ' VAL . 54.2 t -39.91 -46.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 294' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.6 mt-30 -73.85 -27.32 61.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.237 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 295' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.4 mt-10 -75.73 -50.81 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 296' ' ' ILE . . . . . 0.94 HD12 ' O ' ' A' ' 292' ' ' ALA . 3.3 mp -44.84 -62.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 297' ' ' THR . . . . . 0.453 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -40.23 -61.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.31 -28.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 299' ' ' TYR . . . . . 0.783 ' O ' ' CB ' ' A' ' 302' ' ' SER . 0.8 OUTLIER -103.13 -44.28 5.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.756 ' C ' ' H ' ' A' ' 302' ' ' SER . . . -46.11 -55.48 6.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 301' ' ' LYS . . . . . 0.462 ' HA ' HG22 ' A' ' 307' ' ' VAL . 10.2 mttm -53.42 2.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 302' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 299' ' ' TYR . 16.9 t -74.18 -40.14 62.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.017 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 303' ' ' ILE . . . . . 0.995 ' CG2' HD21 ' A' ' 413' ' ' LEU . 1.3 mt -59.99 128.78 87.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 45.62 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 305' ' ' GLY . . . . . 0.54 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -165.45 -27.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.78 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 55.2 t80 -54.46 -60.1 3.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 307' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.1 OUTLIER -65.11 -22.53 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -75.45 -14.35 60.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.4 mt -68.84 -109.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 310' ' ' ASP . . . . . 0.816 ' CG ' HD12 ' A' ' 401' ' ' LEU . 7.6 t70 -145.01 152.21 39.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.97 -47.7 74.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 312' ' ' ASN . . . . . 0.832 ' HB2' HD11 ' A' ' 401' ' ' LEU . 22.9 m120 -78.56 -57.89 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 313' ' ' ASP . . . . . 0.986 ' OD1' HD11 ' A' ' 406' ' ' ILE . 24.1 t0 -38.37 -53.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 314' ' ' GLN . . . . . 0.577 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 6.4 mt-30 -53.98 -49.72 68.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.72 -49.21 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.893 HG21 ' C ' ' A' ' 399' ' ' GLY . 1.2 m -43.08 -65.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 317' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -45.19 -52.34 9.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 318' ' ' LEU . . . . . 0.905 HD23 ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -56.92 -49.31 75.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -39.68 -42.92 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 320' ' ' TYR . . . . . 0.513 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 6.4 m-85 -113.89 5.97 16.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 321' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -109.35 -52.02 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 322' ' ' VAL . . . . . 0.905 ' HB ' HD23 ' A' ' 318' ' ' LEU . 1.5 p -41.2 -27.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 323' ' ' HIS . . . . . 0.552 ' O ' ' CD1' ' A' ' 327' ' ' TYR . 61.9 m170 -71.73 -45.76 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 324' ' ' GLU . . . . . 0.84 ' HA ' HD12 ' A' ' 442' ' ' LEU . 4.1 mt-10 -74.12 2.97 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 325' ' ' ILE . . . . . 0.973 HD12 HG22 ' A' ' 391' ' ' ILE . 0.8 OUTLIER -105.62 -49.03 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 326' ' ' ILE . . . . . 0.779 HG12 ' HB1' ' A' ' 292' ' ' ALA . 1.6 mt -72.13 -36.8 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.907 ' CD2' HG22 ' A' ' 446' ' ' VAL . 5.7 m-85 -75.83 -29.2 58.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 328' ' ' THR . . . . . 0.925 ' HA ' HD21 ' A' ' 442' ' ' LEU . 0.7 OUTLIER -62.29 -58.87 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.612 ' N ' ' CG2' ' A' ' 328' ' ' THR . 25.7 ptm -79.92 -19.33 48.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.598 ' HB2' ' HA ' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -43.92 -46.81 8.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 331' ' ' ALA . . . . . 1.25 ' HB2' ' CE2' ' A' ' 370' ' ' PHE . . . -48.38 -48.96 36.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 332' ' ' SER . . . . . 0.737 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 0.9 OUTLIER -59.08 -14.66 10.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.79 ' CD1' HD12 ' A' ' 228' ' ' LEU . 2.3 mm? -100.11 18.35 18.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 334' ' ' MET . . . . . 0.716 ' HB2' ' O ' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -93.41 -172.88 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 335' ' ' ASN . . . . . 0.773 ' O ' ' CE1' ' A' ' 368' ' ' PHE . 8.8 t-20 -158.76 169.55 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 336' ' ' LYS . . . . . 0.571 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -55.81 -53.74 53.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 337' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 1.6 m-20 -130.68 37.7 3.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 338' ' ' GLY . . . . . 0.765 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -171.25 -161.69 22.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 339' ' ' VAL . . . . . 0.639 ' O ' HG23 ' A' ' 341' ' ' ILE . 25.8 m -157.0 125.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.779 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 0.95 HD21 HD13 ' A' ' 237' ' ' LEU . 2.2 mm? -36.36 157.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 341' ' ' ILE . . . . . 0.897 HD12 HD12 ' A' ' 249' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 346' ' ' GLY . . . . . 0.576 ' HA3' ' CB ' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 1.106 ' CZ ' HG13 ' A' ' 248' ' ' VAL . 0.1 OUTLIER -169.61 134.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 0.755 . . . . 0.0 110.968 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 348' ' ' MET . . . . . 0.811 ' HG2' HD23 ' A' ' 353' ' ' LEU . 30.1 ttm -90.85 121.19 32.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 349' ' ' THR . . . . . 0.765 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.7 p -64.84 146.37 54.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 350' ' ' ARG . . . . . 0.703 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 10.6 ttm180 -53.33 -51.67 61.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 351' ' ' GLU . . . . . 0.559 ' O ' ' CB ' ' A' ' 355' ' ' SER . 1.8 pt-20 -53.25 -14.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 352' ' ' PHE . . . . . 0.493 ' O ' ' HB3' ' A' ' 355' ' ' SER . 7.0 t80 -91.48 -66.96 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 353' ' ' LEU . . . . . 0.811 HD23 ' HG2' ' A' ' 348' ' ' MET . 0.3 OUTLIER -49.9 -54.25 20.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 354' ' ' LYS . . . . . 0.726 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.3 OUTLIER -61.04 -38.9 87.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 355' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 0.3 OUTLIER -50.24 75.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 356' ' ' LEU . . . . . 0.849 ' HB3' HG13 ' A' ' 277' ' ' VAL . 0.3 OUTLIER 176.14 -169.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 357' ' ' ARG . . . . . 0.698 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.6 OUTLIER -18.74 124.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 358' ' ' LYS . . . . . 0.799 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.42 -58.22 0.82 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 359' ' ' PRO . . . . . 0.799 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.4 Cg_endo -75.0 -67.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 360' ' ' PHE . . . . . 0.739 ' CE1' ' CE1' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -49.11 -9.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 361' ' ' GLY . . . . . 0.676 ' CA ' HD12 ' A' ' 356' ' ' LEU . . . -129.13 53.18 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 362' ' ' ASP . . . . . 0.512 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 14.3 t70 172.9 45.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 363' ' ' PHE . . . . . 1.141 ' CD2' HD13 ' A' ' 452' ' ' LEU . 0.9 OUTLIER -138.88 16.99 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 364' ' ' MET . . . . . 0.839 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 2.4 mpp? -117.47 9.38 13.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 365' ' ' GLU . . . . . 0.92 ' N ' ' CD ' ' A' ' 366' ' ' PRO . 5.9 tp10 -78.82 -18.41 0.27 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.92 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -75.03 -43.19 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.554 1.818 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 367' ' ' LYS . . . . . 0.473 ' O ' ' HE2' ' A' ' 334' ' ' MET . 0.7 OUTLIER -76.94 -37.52 55.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 368' ' ' PHE . . . . . 0.773 ' CE1' ' O ' ' A' ' 335' ' ' ASN . 1.7 t80 -59.17 -58.26 9.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 369' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 373' ' ' LYS . 1.0 OUTLIER -59.57 -57.86 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 370' ' ' PHE . . . . . 1.25 ' CE2' ' HB2' ' A' ' 331' ' ' ALA . 0.1 OUTLIER -36.8 -47.75 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 371' ' ' ALA . . . . . 0.854 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -66.26 -46.72 76.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 372' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 369' ' ' GLU . 54.3 t -56.47 -18.09 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 373' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 369' ' ' GLU . 0.0 OUTLIER -104.78 -23.38 13.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 374' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' A' ' 370' ' ' PHE . 0.8 OUTLIER -91.23 -39.69 11.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 375' ' ' ASN . . . . . 0.482 ' CG ' ' O ' ' A' ' 371' ' ' ALA . 15.3 m120 -52.12 -15.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -87.79 32.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 374' ' ' PHE . 0.7 OUTLIER -175.09 4.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 378' ' ' GLU . . . . . 0.596 ' OE2' ' CB ' ' A' ' 332' ' ' SER . 2.1 mt-10 -69.65 128.15 35.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.625 HD23 ' CD2' ' A' ' 425' ' ' HIS . 0.3 OUTLIER -82.91 -139.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 380' ' ' ASP . . . . . 0.584 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 33.8 p30 -106.51 144.34 33.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 381' ' ' ASP . . . . . 0.647 ' HA ' HD12 ' A' ' 384' ' ' LEU . 12.4 m-20 -35.99 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 382' ' ' SER . . . . . 0.565 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 4.9 m -58.27 -61.43 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 383' ' ' ASP . . . . . 0.496 ' OD2' ' HB3' ' A' ' 379' ' ' LEU . 17.6 m-20 -59.2 -28.5 66.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 381' ' ' ASP . 3.8 mt -75.37 -57.63 3.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 385' ' ' ALA . . . . . 0.606 ' HB2' ' CD2' ' A' ' 222' ' ' TYR . . . -35.7 -47.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.529 HD13 ' HB1' ' A' ' 416' ' ' ALA . 8.9 mt -61.26 -60.2 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 387' ' ' PHE . . . . . 0.649 ' CD2' HD11 ' A' ' 391' ' ' ILE . 3.4 t80 -33.75 -44.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 388' ' ' ILE . . . . . 0.791 ' CG1' HG23 ' A' ' 325' ' ' ILE . 0.4 OUTLIER -48.58 -64.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 389' ' ' ALA . . . . . 0.956 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -48.92 -45.29 41.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.832 HG22 HD12 ' A' ' 414' ' ' LEU . 1.0 OUTLIER -58.57 -25.6 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.973 HG22 HD12 ' A' ' 325' ' ' ILE . 27.7 mt -87.62 -18.51 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 392' ' ' ILE . . . . . 0.763 HG22 HD23 ' A' ' 393' ' ' LEU . 60.5 mt -68.48 -76.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.937 HD11 HG22 ' A' ' 409' ' ' ILE . 0.1 OUTLIER -62.95 92.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 394' ' ' SER . . . . . 0.624 ' O ' ' N ' ' A' ' 396' ' ' ASP . 5.0 m -126.46 87.77 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 395' ' ' GLY . . . . . 0.616 ' HA2' HG22 ' A' ' 403' ' ' VAL . . . -61.44 60.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 396' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 394' ' ' SER . 10.6 t70 -131.86 -23.08 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 397' ' ' ARG . . . . . 0.557 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -64.67 127.32 92.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 7.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 399' ' ' GLY . . . . . 0.893 ' C ' HG21 ' A' ' 316' ' ' THR . . . -125.94 33.39 3.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.557 ' HG ' ' CB ' ' A' ' 397' ' ' ARG . 17.3 mt -95.22 156.65 16.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.832 HD11 ' HB2' ' A' ' 312' ' ' ASN . 20.3 mt -109.82 -58.25 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 402' ' ' ASN . . . . . 0.744 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 1.5 m120 -108.32 83.01 1.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 403' ' ' VAL . . . . . 0.854 ' HA ' HD12 ' A' ' 406' ' ' ILE . 1.0 OUTLIER -79.46 -15.91 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.732 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -68.72 -50.27 25.14 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 405' ' ' PRO . . . . . 0.744 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.03 -26.37 10.93 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 406' ' ' ILE . . . . . 0.986 HD11 ' OD1' ' A' ' 313' ' ' ASP . 61.5 mt -59.93 -83.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 407' ' ' GLU . . . . . 0.425 ' N ' HG22 ' A' ' 406' ' ' ILE . 51.2 mt-10 -51.09 -23.05 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 408' ' ' ASP . . . . . 0.732 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 10.7 m-20 -73.49 -57.42 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 409' ' ' ILE . . . . . 0.937 HG22 HD11 ' A' ' 393' ' ' LEU . 33.2 mm -56.97 -18.25 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 410' ' ' GLN . . . . . 0.797 ' N ' HD12 ' A' ' 393' ' ' LEU . 0.0 OUTLIER -76.78 -41.1 45.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -45.91 -24.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 412' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.7 OUTLIER -85.96 -51.39 6.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.995 HD21 ' CG2' ' A' ' 303' ' ' ILE . 2.4 mt -55.75 -40.19 72.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.832 HD12 HG22 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -61.54 -46.55 89.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.588 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 40.5 mt-30 -51.21 -57.7 8.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 1.031 ' HB2' HD23 ' A' ' 214' ' ' LEU . . . -52.69 -45.87 67.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 417' ' ' LEU . . . . . 1.002 HD22 ' C ' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -47.23 -81.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 418' ' ' GLU . . . . . 0.925 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.5 OUTLIER -55.34 -19.27 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 1.154 ' CD1' HD22 ' A' ' 211' ' ' LEU . 0.3 OUTLIER -69.07 -78.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 420' ' ' GLN . . . . . 0.707 ' N ' HD23 ' A' ' 419' ' ' LEU . 0.0 OUTLIER -59.28 -10.9 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.709 HD23 ' C ' ' A' ' 421' ' ' LEU . 1.4 tt -89.94 -49.48 6.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 422' ' ' LYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 12.0 ttpp -71.53 -3.37 20.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.531 ' O ' ' HD3' ' A' ' 426' ' ' PRO . 10.9 mt -103.87 -42.22 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.592 ' HB3' ' CE1' ' A' ' 425' ' ' HIS . 1.3 m120 -77.22 -9.05 58.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.625 ' CD2' HD23 ' A' ' 379' ' ' LEU . 0.1 OUTLIER -159.73 61.59 1.74 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.614 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.544 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.2 Cg_endo -75.09 106.22 2.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.487 1.783 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 426' ' ' PRO . 0.0 OUTLIER 168.46 66.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 428' ' ' SER . . . . . 0.4 ' OG ' ' HB2' ' A' ' 431' ' ' LEU . 23.2 t -179.05 -173.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 1.6 m -108.65 -94.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 430' ' ' GLN . . . . . 0.636 ' CB ' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -97.72 29.36 3.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 431' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 431' ' ' LEU . 0.3 OUTLIER -40.21 -44.71 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 432' ' ' PHE . . . . . 0.659 ' CD1' ' C ' ' A' ' 432' ' ' PHE . 0.1 OUTLIER -70.62 -35.23 72.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.016 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 433' ' ' ALA . . . . . 0.636 ' HB3' ' CB ' ' A' ' 430' ' ' GLN . . . -66.97 -21.81 65.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 434' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 431' ' ' LEU . 0.0 OUTLIER -100.41 -12.32 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 435' ' ' LEU . . . . . 0.792 ' O ' HD12 ' A' ' 435' ' ' LEU . 0.8 OUTLIER -78.06 -37.71 46.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.661 HD12 ' HG2' ' A' ' 437' ' ' GLN . 1.6 pp -71.92 -46.04 59.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 437' ' ' GLN . . . . . 0.661 ' HG2' HD12 ' A' ' 436' ' ' LEU . 1.6 mt-30 -46.94 -14.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.594 ' HD2' ' CZ ' ' A' ' 374' ' ' PHE . 16.9 mmtp -51.27 -25.24 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 439' ' ' MET . . . . . 0.636 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -23.53 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.99 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.616 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 71.8 p -32.62 -90.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.78 ' OD1' HD11 ' A' ' 445' ' ' ILE . 1.1 m-20 -42.59 -23.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 442' ' ' LEU . . . . . 0.925 HD21 ' HA ' ' A' ' 328' ' ' THR . 0.7 OUTLIER -77.04 -79.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 443' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 439' ' ' MET . 3.4 ttt180 -58.77 -24.74 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.824 ' O ' HG22 ' A' ' 447' ' ' THR . 0.0 OUTLIER -73.95 -71.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.807 HG23 ' HB2' ' A' ' 366' ' ' PRO . 28.7 mt -51.94 -29.61 11.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.907 HG22 ' CD2' ' A' ' 327' ' ' TYR . 3.3 t -61.12 -68.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 447' ' ' THR . . . . . 0.824 HG22 ' O ' ' A' ' 444' ' ' GLN . 6.1 t -44.11 -26.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 451' ' ' GLN . 4.1 tt0 -76.11 -56.88 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -46.14 -25.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 450' ' ' VAL . . . . . 0.692 ' O ' ' N ' ' A' ' 454' ' ' GLN . 24.1 t -90.01 -35.84 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 451' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 455' ' ' VAL . 5.4 mt-30 -51.59 -26.45 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 1.141 HD13 ' CD2' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -95.03 -50.56 5.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.882 HD12 ' O ' ' A' ' 453' ' ' LEU . 0.2 OUTLIER -69.56 -12.65 61.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 454' ' ' GLN . . . . . 0.703 ' O ' ' CG ' ' A' ' 458' ' ' LYS . 32.2 tt0 -93.55 -47.67 6.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 451' ' ' GLN . 93.8 t -69.32 -12.35 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 456' ' ' ILE . . . . . 0.856 HD12 ' N ' ' A' ' 457' ' ' LYS . 2.4 pp -101.27 -52.34 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 457' ' ' LYS . . . . . 0.856 ' N ' HD12 ' A' ' 456' ' ' ILE . 0.0 OUTLIER -57.89 -13.92 5.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 458' ' ' LYS . . . . . 0.703 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -108.02 -37.26 6.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 459' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 459' ' ' THR . 6.5 m -142.86 55.65 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.643 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.5 mm-40 -48.04 172.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -63.95 -26.71 68.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 462' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' A' ' 461' ' ' THR . 3.0 t0 169.73 49.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 463' ' ' MET . . . . . 0.445 ' HG2' ' N ' ' A' ' 464' ' ' SER . 0.6 OUTLIER 60.9 139.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 464' ' ' SER . . . . . 0.532 ' O ' HD11 ' A' ' 279' ' ' ILE . 3.1 t 179.8 54.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.779 HD21 HD13 ' A' ' 469' ' ' LEU . 0.1 OUTLIER -175.17 -128.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 466' ' ' HIS . . . . . 0.972 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 10.6 p80 -167.51 -176.64 0.48 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 467' ' ' PRO . . . . . 0.972 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.2 Cg_endo -74.99 -40.03 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.503 ' O ' ' CG1' ' A' ' 472' ' ' ILE . 1.5 mt -45.09 -20.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 469' ' ' LEU . . . . . 0.779 HD13 HD21 ' A' ' 465' ' ' LEU . 0.0 OUTLIER -90.44 -55.98 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -48.52 -28.64 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -75.51 -54.16 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 472' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.0 OUTLIER -41.81 -57.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 473' ' ' TYR . . . . . 0.594 ' CE1' ' HE2' ' A' ' 457' ' ' LYS . 7.5 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 210' ' ' ASP . . . . . 0.692 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 3.3 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 1.051 ' HA ' HD21 ' A' ' 419' ' ' LEU . 0.1 OUTLIER -59.51 -55.99 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 212' ' ' ARG . . . . . 0.471 ' O ' ' HB3' ' A' ' 216' ' ' LYS . 17.3 mmt-85 -95.63 -19.38 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 213' ' ' ALA . . . . . 0.692 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -75.3 -65.59 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 214' ' ' LEU . . . . . 0.673 HD23 ' CB ' ' A' ' 416' ' ' ALA . 29.7 tp -61.16 -47.74 84.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 215' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 211' ' ' LEU . . . -44.01 -67.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 216' ' ' LYS . . . . . 0.662 ' O ' ' CB ' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -38.45 -36.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 217' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 14.9 t60 -80.52 -70.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.593 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 218' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 386' ' ' ILE . 0.3 OUTLIER -42.86 -52.33 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 219' ' ' TYR . . . . . 0.546 ' CD2' HG12 ' A' ' 223' ' ' ILE . 5.0 t80 -69.46 -28.77 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.956 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 220' ' ' ASP . . . . . 0.662 ' CB ' ' O ' ' A' ' 216' ' ' LYS . 0.4 OUTLIER -57.47 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 221' ' ' SER . . . . . 0.891 ' OG ' ' HD1' ' A' ' 299' ' ' TYR . 3.6 p -52.75 -27.73 19.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 222' ' ' TYR . . . . . 0.702 ' HB2' ' CE1' ' A' ' 299' ' ' TYR . 30.3 t80 -69.53 -56.19 8.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 223' ' ' ILE . . . . . 0.546 HG12 ' CD2' ' A' ' 219' ' ' TYR . 5.8 mm -56.11 -8.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 224' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 220' ' ' ASP . 0.6 OUTLIER -96.9 -41.11 8.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 225' ' ' SER . . . . . 0.588 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 43.0 t -63.13 -89.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 226' ' ' PHE . . . . . 0.498 ' HD2' ' CE1' ' A' ' 222' ' ' TYR . 0.6 OUTLIER -76.08 114.48 37.83 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.984 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -45.5 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.7 HD13 ' HB2' ' A' ' 232' ' ' LYS . 0.2 OUTLIER -93.17 88.44 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 229' ' ' THR . . . . . 0.42 ' HB ' ' CG ' ' A' ' 381' ' ' ASP . 25.2 p -81.85 -165.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 230' ' ' LYS . . . . . 0.646 ' HB3' HD12 ' A' ' 384' ' ' LEU . 0.0 OUTLIER -74.6 -25.53 59.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 231' ' ' ALA . . . . . 0.62 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -73.68 -41.51 62.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 232' ' ' LYS . . . . . 0.7 ' HB2' HD13 ' A' ' 228' ' ' LEU . 1.3 mttm -73.45 -41.25 63.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 233' ' ' ALA . . . . . 0.585 ' HA ' ' HG ' ' A' ' 340' ' ' LEU . . . -66.35 -46.57 76.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 234' ' ' ARG . . . . . 0.941 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -76.82 -1.17 26.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 235' ' ' ALA . . . . . 1.113 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -80.94 -53.83 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 232' ' ' LYS . 0.0 OUTLIER -74.9 -35.78 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 237' ' ' LEU . . . . . 1.031 HD13 HD21 ' A' ' 340' ' ' LEU . 0.3 OUTLIER -60.13 -20.42 58.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 238' ' ' THR . . . . . 0.539 ' HB ' ' O ' ' A' ' 237' ' ' LEU . 0.9 OUTLIER 171.78 30.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.356 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 239' ' ' GLY . . . . . 1.113 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 246' ' ' PRO . . . . . 0.634 ' HG2' ' CD2' ' A' ' 347' ' ' PHE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 247' ' ' PHE . . . . . 0.709 ' O ' ' CD1' ' A' ' 347' ' ' PHE . 0.7 OUTLIER -107.56 -133.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 248' ' ' VAL . . . . . 1.039 HG22 ' H ' ' A' ' 347' ' ' PHE . 0.7 OUTLIER 51.43 -159.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 249' ' ' ILE . . . . . 1.208 ' O ' ' HA ' ' A' ' 348' ' ' MET . 1.1 pt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 276' ' ' GLU . . . . . 0.709 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 277' ' ' VAL . . . . . 0.636 HG22 HD22 ' A' ' 356' ' ' LEU . 3.1 p -41.27 -27.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 278' ' ' ALA . . . . . 0.885 ' HB2' ' HB2' ' A' ' 357' ' ' ARG . . . -69.74 -73.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 0.582 HD12 ' OE1' ' A' ' 276' ' ' GLU . 1.2 mp -36.04 -31.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 280' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -76.19 -58.98 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 281' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 285' ' ' CYS . 1.1 mp -64.36 -47.43 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 282' ' ' PHE . . . . . 0.684 ' HB2' ' CD2' ' A' ' 360' ' ' PHE . 5.4 t80 -52.45 -47.08 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 283' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 1.5 tt0 -60.36 -35.79 76.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 284' ' ' GLY . . . . . 0.503 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -84.75 -54.53 2.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 285' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.7 OUTLIER -51.0 -16.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 286' ' ' GLN . . . . . 0.503 ' N ' ' C ' ' A' ' 284' ' ' GLY . 25.2 tt0 -110.29 -26.17 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 287' ' ' PHE . . . . . 0.619 ' CZ ' ' CD ' ' A' ' 291' ' ' GLU . 20.8 t80 -52.03 -30.48 25.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -20.19 63.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 35.2 t -88.47 -54.02 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 290' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.3 m -51.57 -32.36 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 291' ' ' GLU . . . . . 0.619 ' CD ' ' CZ ' ' A' ' 287' ' ' PHE . 51.6 mt-10 -77.24 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 292' ' ' ALA . . . . . 0.923 ' O ' HD12 ' A' ' 296' ' ' ILE . . . -33.59 -59.28 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 293' ' ' VAL . . . . . 0.696 ' HA ' HG21 ' A' ' 322' ' ' VAL . 8.9 t -38.87 -46.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 294' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.5 mt-30 -73.25 -26.22 61.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 295' ' ' GLU . . . . . 0.676 ' N ' ' O ' ' A' ' 292' ' ' ALA . 15.2 mm-40 -77.13 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 296' ' ' ILE . . . . . 0.923 HD12 ' O ' ' A' ' 292' ' ' ALA . 4.4 mp -39.63 -63.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 297' ' ' THR . . . . . 0.568 HG23 ' CD ' ' A' ' 301' ' ' LYS . 0.9 OUTLIER -42.06 -58.92 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -27.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 299' ' ' TYR . . . . . 0.891 ' HD1' ' OG ' ' A' ' 221' ' ' SER . 0.2 OUTLIER -103.03 -57.57 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.79 ' C ' ' H ' ' A' ' 302' ' ' SER . . . -44.06 -44.46 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 301' ' ' LYS . . . . . 0.568 ' CD ' HG23 ' A' ' 297' ' ' THR . 14.5 mttm -46.81 -2.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 302' ' ' SER . . . . . 0.79 ' H ' ' C ' ' A' ' 300' ' ' ALA . 1.2 p -74.08 -41.42 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 303' ' ' ILE . . . . . 0.702 HG21 ' CG2' ' A' ' 409' ' ' ILE . 1.1 mt -62.54 121.52 67.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.31 3.59 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 305' ' ' GLY . . . . . 0.616 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -174.41 -27.43 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 306' ' ' PHE . . . . . 0.836 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 45.9 t80 -54.44 -63.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -20.17 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -74.99 -12.61 60.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.943 HD13 HG23 ' A' ' 406' ' ' ILE . 12.1 mt -60.87 -108.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 310' ' ' ASP . . . . . 0.746 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.3 t70 -140.88 151.83 44.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 311' ' ' LEU . . . . . 0.53 HD23 ' H ' ' A' ' 311' ' ' LEU . 0.2 OUTLIER -55.35 -48.08 74.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 312' ' ' ASN . . . . . 0.775 ' CB ' HD11 ' A' ' 401' ' ' LEU . 5.4 m120 -79.62 -52.11 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 313' ' ' ASP . . . . . 0.859 ' N ' HD12 ' A' ' 401' ' ' LEU . 40.2 t0 -44.09 -39.48 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 314' ' ' GLN . . . . . 0.909 ' O ' HD12 ' A' ' 318' ' ' LEU . 6.1 mt-30 -73.06 -32.49 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 315' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 312' ' ' ASN . 5.6 t -83.2 -34.78 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 316' ' ' THR . . . . . 0.766 HG21 ' HA ' ' A' ' 400' ' ' LEU . 0.9 OUTLIER -73.12 -44.31 60.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 317' ' ' LEU . . . . . 1.201 HD23 ' N ' ' A' ' 318' ' ' LEU . 0.2 OUTLIER -66.19 -28.17 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 318' ' ' LEU . . . . . 1.201 ' N ' HD23 ' A' ' 317' ' ' LEU . 0.2 OUTLIER -76.61 -48.26 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -26.69 37.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 320' ' ' TYR . . . . . 0.48 ' O ' ' NH2' ' A' ' 443' ' ' ARG . 13.1 m-85 -116.4 -0.46 12.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 321' ' ' GLY . . . . . 0.814 ' O ' HD12 ' A' ' 325' ' ' ILE . . . -115.04 -56.49 0.36 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 322' ' ' VAL . . . . . 0.874 ' HB ' HD23 ' A' ' 318' ' ' LEU . 1.8 p -42.68 -24.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 323' ' ' HIS . . . . . 0.59 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 11.2 m-70 -71.16 -51.47 24.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 324' ' ' GLU . . . . . 0.683 ' HA ' HD12 ' A' ' 442' ' ' LEU . 22.0 mt-10 -73.31 7.39 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 325' ' ' ILE . . . . . 0.818 HD13 ' CD1' ' A' ' 392' ' ' ILE . 1.2 mp -108.64 -48.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 326' ' ' ILE . . . . . 0.892 HG12 ' HB1' ' A' ' 292' ' ' ALA . 3.2 mt -74.79 -38.8 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.975 ' CD2' HG22 ' A' ' 446' ' ' VAL . 22.4 m-85 -76.13 -17.47 59.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 328' ' ' THR . . . . . 0.808 ' HA ' HD21 ' A' ' 442' ' ' LEU . 0.7 OUTLIER -76.37 -58.72 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.444 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.734 ' HE3' HD21 ' A' ' 333' ' ' LEU . 9.3 ptm -81.04 -16.46 53.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.646 ' HB2' ' O ' ' A' ' 326' ' ' ILE . 1.7 mt -47.97 -56.13 8.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 331' ' ' ALA . . . . . 1.018 ' HA ' ' HB2' ' A' ' 371' ' ' ALA . . . -37.24 -50.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 332' ' ' SER . . . . . 0.941 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 34.2 m -59.53 -46.24 89.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.734 HD21 ' HE3' ' A' ' 329' ' ' MET . 0.0 OUTLIER -76.11 10.94 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 334' ' ' MET . . . . . 0.73 ' HE2' ' C ' ' A' ' 367' ' ' LYS . 0.0 OUTLIER -108.21 -176.1 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 335' ' ' ASN . . . . . 0.591 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.9 t-20 -148.18 168.17 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 336' ' ' LYS . . . . . 0.591 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.2 OUTLIER -46.73 -57.46 4.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 337' ' ' ASP . . . . . 0.63 ' O ' ' HA ' ' A' ' 349' ' ' THR . 1.3 m-20 -133.65 41.93 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 338' ' ' GLY . . . . . 0.712 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -167.64 179.97 40.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 339' ' ' VAL . . . . . 1.098 ' O ' HG23 ' A' ' 341' ' ' ILE . 0.5 OUTLIER -137.16 128.99 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 1.031 HD21 HD13 ' A' ' 237' ' ' LEU . 2.7 mm? -49.89 117.37 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 341' ' ' ILE . . . . . 1.098 HG23 ' O ' ' A' ' 339' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 346' ' ' GLY . . . . . 0.927 ' HA3' HG13 ' A' ' 248' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 347' ' ' PHE . . . . . 1.039 ' H ' HG22 ' A' ' 248' ' ' VAL . 0.0 OUTLIER -169.23 176.32 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 348' ' ' MET . . . . . 1.208 ' HA ' ' O ' ' A' ' 249' ' ' ILE . 23.7 ttm -96.25 87.5 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 349' ' ' THR . . . . . 0.924 HG23 ' HA ' ' A' ' 249' ' ' ILE . 1.4 p -56.66 142.3 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 350' ' ' ARG . . . . . 0.846 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 5.9 ttp85 -58.6 -53.37 59.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 351' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 355' ' ' SER . 3.9 pt-20 -41.74 -23.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 352' ' ' PHE . . . . . 0.705 ' CE1' ' CD1' ' A' ' 249' ' ' ILE . 2.5 t80 -84.46 -69.14 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 353' ' ' LEU . . . . . 0.942 HD13 ' HB3' ' A' ' 364' ' ' MET . 0.3 OUTLIER -43.38 -54.72 4.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 354' ' ' LYS . . . . . 0.579 ' O ' ' N ' ' A' ' 356' ' ' LEU . 1.0 OUTLIER -58.79 -46.55 87.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 355' ' ' SER . . . . . 0.602 ' O ' HD23 ' A' ' 356' ' ' LEU . 1.0 OUTLIER -52.62 82.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 356' ' ' LEU . . . . . 0.636 HD22 HG22 ' A' ' 277' ' ' VAL . 0.3 OUTLIER 165.18 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 357' ' ' ARG . . . . . 0.885 ' HB2' ' HB2' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -17.02 123.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 358' ' ' LYS . . . . . 0.771 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.1 OUTLIER -40.44 -49.76 6.79 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 359' ' ' PRO . . . . . 0.771 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.5 Cg_endo -74.9 -76.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 360' ' ' PHE . . . . . 0.81 ' HD2' ' HB1' ' A' ' 278' ' ' ALA . 2.2 m-30 -48.46 -12.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 361' ' ' GLY . . . . . 0.622 ' N ' ' O ' ' A' ' 357' ' ' ARG . . . -104.95 38.92 3.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 362' ' ' ASP . . . . . 0.409 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 37.8 p30 -177.56 42.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 363' ' ' PHE . . . . . 0.931 ' HB2' HD13 ' A' ' 452' ' ' LEU . 0.0 OUTLIER -124.78 0.64 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 364' ' ' MET . . . . . 0.942 ' HB3' HD13 ' A' ' 353' ' ' LEU . 2.1 tpt -110.21 -3.42 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 365' ' ' GLU . . . . . 0.846 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 2.6 tp10 -67.66 -31.54 3.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 366' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.92 -29.23 8.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.8 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 367' ' ' LYS . . . . . 0.73 ' C ' ' HE2' ' A' ' 334' ' ' MET . 0.0 OUTLIER -68.72 -57.15 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 368' ' ' PHE . . . . . 0.509 ' CZ ' HD21 ' A' ' 353' ' ' LEU . 6.0 m-30 -59.15 -42.45 90.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -53.52 -47.64 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 370' ' ' PHE . . . . . 0.805 ' CE2' ' HB2' ' A' ' 331' ' ' ALA . 27.9 t80 -54.81 -46.45 74.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 371' ' ' ALA . . . . . 1.018 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -64.81 -25.76 68.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -21.44 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 373' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 370' ' ' PHE . 0.0 OUTLIER -105.43 -22.43 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 374' ' ' PHE . . . . . 0.772 ' CD1' ' CE1' ' A' ' 370' ' ' PHE . 0.2 OUTLIER -89.91 -38.52 13.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 375' ' ' ASN . . . . . 0.629 ' ND2' ' NH2' ' A' ' 234' ' ' ARG . 34.8 m-20 -59.22 -6.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' A' ' 374' ' ' PHE . . . -84.5 24.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.662 HD12 HD21 ' A' ' 379' ' ' LEU . 0.7 OUTLIER -156.09 10.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 378' ' ' GLU . . . . . 0.618 ' C ' ' O ' ' A' ' 377' ' ' LEU . 0.0 OUTLIER -17.17 93.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 379' ' ' LEU . . . . . 0.737 ' HB2' HD21 ' A' ' 384' ' ' LEU . 0.1 OUTLIER -82.46 -139.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 380' ' ' ASP . . . . . 0.622 ' OD2' ' CD2' ' A' ' 425' ' ' HIS . 1.2 p-10 -136.96 133.42 35.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 381' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 231' ' ' ALA . 22.0 m-20 -39.16 -26.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 382' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 380' ' ' ASP . 0.0 OUTLIER -57.94 -55.55 33.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 383' ' ' ASP . . . . . 0.58 ' OD2' ' NE2' ' A' ' 425' ' ' HIS . 0.5 OUTLIER -70.73 -30.7 67.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.737 HD21 ' HB2' ' A' ' 379' ' ' LEU . 3.4 mt -70.32 -57.81 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 385' ' ' ALA . . . . . 0.577 ' HB2' ' CE2' ' A' ' 222' ' ' TYR . . . -39.06 -63.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.76 ' HA ' HD12 ' A' ' 218' ' ' LEU . 1.1 mt -52.25 -50.4 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 387' ' ' PHE . . . . . 0.581 ' CZ ' HD22 ' A' ' 435' ' ' LEU . 0.4 OUTLIER -36.2 -54.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 388' ' ' ILE . . . . . 0.709 ' CG1' HG23 ' A' ' 325' ' ' ILE . 1.7 mp -41.66 -50.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 389' ' ' ALA . . . . . 0.661 ' HA ' HG22 ' A' ' 392' ' ' ILE . . . -60.35 -41.22 93.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.739 HG22 ' HB2' ' A' ' 413' ' ' LEU . 5.6 t -67.99 -6.85 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.813 ' C ' HD11 ' A' ' 325' ' ' ILE . 7.7 mt -124.35 -1.49 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 392' ' ' ILE . . . . . 0.818 ' CD1' HD13 ' A' ' 325' ' ' ILE . 2.5 tp -100.65 -41.0 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 1.076 HD23 ' CD1' ' A' ' 413' ' ' LEU . 1.0 OUTLIER -62.7 46.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 394' ' ' SER . . . . . 0.94 ' OG ' HG21 ' A' ' 406' ' ' ILE . 51.0 m 55.09 -98.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 395' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 394' ' ' SER . . . 32.76 39.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 396' ' ' ASP . . . . . 0.548 ' OD1' ' HB2' ' A' ' 397' ' ' ARG . 0.4 OUTLIER -104.02 -72.09 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 0.778 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 397' ' ' ARG . . . . . 0.678 ' HB3' ' HD2' ' A' ' 398' ' ' PRO . 0.0 OUTLIER -147.64 176.68 2.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 398' ' ' PRO . . . . . 0.678 ' HD2' ' HB3' ' A' ' 397' ' ' ARG . 18.4 Cg_endo -74.98 44.45 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 399' ' ' GLY . . . . . 0.636 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . -128.18 45.88 1.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.767 HD13 ' HB3' ' A' ' 394' ' ' SER . 0.7 OUTLIER -128.29 -146.5 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 0.787 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 401' ' ' LEU . . . . . 0.859 HD12 ' N ' ' A' ' 313' ' ' ASP . 15.1 mt -135.41 -72.85 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 402' ' ' ASN . . . . . 1.066 ' O ' ' CG1' ' A' ' 406' ' ' ILE . 6.4 m-20 -103.78 78.42 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 403' ' ' VAL . . . . . 0.711 ' HA ' ' CD1' ' A' ' 406' ' ' ILE . 0.8 OUTLIER -73.69 -8.36 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.753 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.5 OUTLIER -74.58 -50.43 4.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 405' ' ' PRO . . . . . 0.952 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -74.98 -15.23 20.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 406' ' ' ILE . . . . . 1.066 ' CG1' ' O ' ' A' ' 402' ' ' ASN . 0.0 OUTLIER -91.72 -79.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 407' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 403' ' ' VAL . 26.3 mt-10 -41.22 -26.92 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 408' ' ' ASP . . . . . 0.753 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 24.6 m-20 -73.44 -55.9 5.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 409' ' ' ILE . . . . . 0.702 ' CG2' HG21 ' A' ' 303' ' ' ILE . 23.7 mm -55.11 -21.62 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 410' ' ' GLN . . . . . 0.824 ' HG2' HD12 ' A' ' 413' ' ' LEU . 0.1 OUTLIER -73.19 -44.32 59.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -42.41 -26.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 412' ' ' ASN . . . . . 0.441 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.2 OUTLIER -84.69 -56.65 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 1.076 ' CD1' HD23 ' A' ' 393' ' ' LEU . 0.2 OUTLIER -51.16 -40.44 58.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.673 HD12 HG11 ' A' ' 390' ' ' VAL . 5.4 tp -59.3 -51.1 71.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.569 ' O ' ' HB3' ' A' ' 419' ' ' LEU . 38.6 mt-30 -50.55 -58.2 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.792 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -56.78 -44.65 82.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 417' ' ' LEU . . . . . 0.999 HD22 ' C ' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -46.91 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 418' ' ' GLU . . . . . 0.935 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.3 OUTLIER -52.17 -20.11 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 1.051 HD21 ' HA ' ' A' ' 211' ' ' LEU . 0.0 OUTLIER -68.01 -86.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 420' ' ' GLN . . . . . 0.731 ' O ' ' HB3' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -56.53 -8.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.775 HD22 ' C ' ' A' ' 421' ' ' LEU . 0.0 OUTLIER -87.21 -55.7 3.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 422' ' ' LYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 426' ' ' PRO . 0.0 OUTLIER -94.81 22.37 6.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.735 HD12 ' HG ' ' A' ' 419' ' ' LEU . 93.7 mt -129.48 -38.51 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.731 ' HB3' ' O ' ' A' ' 420' ' ' GLN . 0.1 OUTLIER -96.08 -10.6 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.761 ' O ' ' CG ' ' A' ' 425' ' ' HIS . 0.7 OUTLIER -178.95 65.96 0.17 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.589 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.586 ' HA ' ' HA ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.96 -163.57 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.42 -50.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.33 -153.55 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 5.7 m -94.96 -52.44 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 430' ' ' GLN . . . . . 0.556 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -110.08 24.79 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 431' ' ' LEU . . . . . 0.476 HD22 ' HD3' ' A' ' 434' ' ' LYS . 1.2 tm? -37.99 -29.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 432' ' ' PHE . . . . . 0.622 ' CG ' ' N ' ' A' ' 433' ' ' ALA . 0.1 OUTLIER -83.7 -48.63 9.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 433' ' ' ALA . . . . . 0.622 ' N ' ' CG ' ' A' ' 432' ' ' PHE . . . -46.59 -23.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 434' ' ' LYS . . . . . 0.555 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 12.3 ptmt -96.83 -47.81 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 435' ' ' LEU . . . . . 0.581 HD22 ' CZ ' ' A' ' 387' ' ' PHE . 0.3 OUTLIER -39.12 -38.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 432' ' ' PHE . 2.7 mt -76.79 -47.14 22.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 437' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 2.7 mm100 -47.53 -11.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 438' ' ' LYS . . . . . 0.562 ' HG2' ' CZ ' ' A' ' 374' ' ' PHE . 0.0 OUTLIER -51.26 -27.63 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 439' ' ' MET . . . . . 0.558 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -25.29 -44.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.578 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.7 OUTLIER -33.79 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.563 ' O ' ' CG1' ' A' ' 445' ' ' ILE . 0.6 OUTLIER -63.85 -17.03 62.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 442' ' ' LEU . . . . . 0.808 HD21 ' HA ' ' A' ' 328' ' ' THR . 0.1 OUTLIER -74.34 -78.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 443' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 439' ' ' MET . 0.2 OUTLIER -53.36 -19.92 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 444' ' ' GLN . . . . . 0.788 ' O ' HG22 ' A' ' 447' ' ' THR . 7.9 mm100 -67.39 -64.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.777 HD11 ' HB2' ' A' ' 370' ' ' PHE . 0.9 OUTLIER -44.54 -43.8 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.975 HG22 ' CD2' ' A' ' 327' ' ' TYR . 8.7 t -53.01 -72.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 447' ' ' THR . . . . . 0.788 HG22 ' O ' ' A' ' 444' ' ' GLN . 8.4 t -43.78 -25.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 448' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 445' ' ' ILE . 4.2 mt-10 -80.59 -56.47 4.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' HIS . . . . . 0.435 ' ND1' HG23 ' A' ' 450' ' ' VAL . 0.2 OUTLIER -42.96 -28.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 450' ' ' VAL . . . . . 0.78 HG12 ' HB2' ' A' ' 454' ' ' GLN . 59.4 t -86.81 -48.9 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 451' ' ' GLN . . . . . 0.799 ' O ' HG23 ' A' ' 455' ' ' VAL . 39.8 mt-30 -40.57 -28.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.931 HD13 ' HB2' ' A' ' 363' ' ' PHE . 7.5 mt -86.75 -66.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.373 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 457' ' ' LYS . 1.3 tp -60.0 -14.48 16.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 454' ' ' GLN . . . . . 0.78 ' HB2' HG12 ' A' ' 450' ' ' VAL . 33.3 tt0 -84.38 -49.01 9.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 451' ' ' GLN . 94.5 t -70.53 -7.79 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' ILE . . . . . 0.975 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -103.72 -60.17 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 457' ' ' LYS . . . . . 0.623 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 0.3 OUTLIER -39.85 -34.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 458' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 0.7 OUTLIER -89.23 -40.53 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 459' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.2 OUTLIER -121.44 39.57 3.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.975 ' N ' ' O ' ' A' ' 456' ' ' ILE . 4.4 mm-40 -42.53 132.76 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 461' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -38.67 -29.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 462' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 460' ' ' GLU . 0.8 OUTLIER 172.06 64.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 26.7 ttt 62.43 154.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 464' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 465' ' ' LEU . 1.4 t -160.32 152.68 20.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.792 HD23 HD13 ' A' ' 469' ' ' LEU . 0.2 OUTLIER 37.27 -116.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 466' ' ' HIS . . . . . 0.935 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 15.9 p80 -158.16 -176.54 0.63 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.559 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 467' ' ' PRO . . . . . 0.935 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.4 Cg_endo -75.02 -50.88 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.421 1.748 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.605 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 1.8 mt -41.77 -21.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 469' ' ' LEU . . . . . 0.792 HD13 HD23 ' A' ' 465' ' ' LEU . 0.2 OUTLIER -85.98 -57.01 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.39 -30.5 3.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -70.23 -52.25 24.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 472' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 468' ' ' LEU . 0.7 OUTLIER -48.39 -59.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 473' ' ' TYR . . . . . 0.646 ' OH ' HG13 ' A' ' 450' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.614 ' O ' ' C ' ' A' ' 208' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 208' ' ' SER . . . . . 0.704 ' O ' ' C ' ' A' ' 209' ' ' ALA . 5.1 m -19.66 -69.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.801 ' O ' ' HB3' ' A' ' 213' ' ' ALA . . . 2.8 -109.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 210' ' ' ASP . . . . . 0.547 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 17.0 m-20 -90.27 -10.9 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 1.199 HD22 ' CD1' ' A' ' 419' ' ' LEU . 0.1 OUTLIER -46.66 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 212' ' ' ARG . . . . . 0.508 ' N ' HD12 ' A' ' 211' ' ' LEU . 0.2 OUTLIER -87.86 -14.81 38.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 209' ' ' ALA . . . -74.58 -63.37 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 214' ' ' LEU . . . . . 1.067 HD23 ' HB2' ' A' ' 416' ' ' ALA . 15.6 tp -56.03 -50.25 71.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -44.72 -60.96 1.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 216' ' ' LYS . . . . . 0.667 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -54.07 -28.05 36.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 217' ' ' HIS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 220' ' ' ASP . 32.6 t60 -75.87 -68.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.591 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 386' ' ' ILE . 0.2 OUTLIER -37.78 -54.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 219' ' ' TYR . . . . . 0.498 ' CZ ' HD11 ' A' ' 223' ' ' ILE . 4.8 t80 -69.77 -29.45 66.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 220' ' ' ASP . . . . . 0.667 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 0.3 OUTLIER -60.02 -76.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 221' ' ' SER . . . . . 0.761 ' HG ' ' HD1' ' A' ' 299' ' ' TYR . 67.6 p -51.46 -27.63 10.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 222' ' ' TYR . . . . . 0.781 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 16.2 t80 -74.68 -52.59 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.498 HD11 ' CZ ' ' A' ' 219' ' ' TYR . 0.6 OUTLIER -57.13 -6.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 224' ' ' LYS . . . . . 0.509 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -100.42 -43.45 6.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 225' ' ' SER . . . . . 0.725 ' HG ' ' C ' ' A' ' 295' ' ' GLU . 44.8 t -65.8 -82.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 226' ' ' PHE . . . . . 0.704 ' CD2' ' HE1' ' A' ' 329' ' ' MET . 1.2 t80 -115.0 110.87 45.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 227' ' ' PRO . . . . . 0.643 ' O ' HG23 ' A' ' 229' ' ' THR . 18.3 Cg_endo -74.98 -22.65 14.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.64 HD12 ' HG ' ' A' ' 333' ' ' LEU . 0.2 OUTLIER -57.74 109.38 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 229' ' ' THR . . . . . 0.645 ' O ' ' N ' ' A' ' 233' ' ' ALA . 76.2 p -137.85 -177.65 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 230' ' ' LYS . . . . . 0.796 ' CG ' ' HB3' ' A' ' 332' ' ' SER . 0.5 OUTLIER -64.56 -26.93 68.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 231' ' ' ALA . . . . . 0.935 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -78.78 -23.93 44.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 232' ' ' LYS . . . . . 0.524 ' O ' HG12 ' A' ' 236' ' ' ILE . 1.6 mttm -99.8 -34.02 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 233' ' ' ALA . . . . . 1.034 ' HB2' HD12 ' A' ' 333' ' ' LEU . . . -72.71 -51.57 18.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.688 ' N ' ' HD2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -75.62 -9.15 58.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 235' ' ' ALA . . . . . 0.963 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -80.78 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.634 ' O ' HG21 ' A' ' 241' ' ' THR . 19.5 pt -61.43 -41.69 90.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 237' ' ' LEU . . . . . 0.936 ' CD1' HD21 ' A' ' 340' ' ' LEU . 14.6 mt -46.81 -27.98 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 238' ' ' THR . . . . . . . . . . . . . 5.2 t -173.54 -30.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 239' ' ' GLY . . . . . 0.963 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -88.55 61.24 3.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 240' ' ' LYS . . . . . 0.686 ' CG ' ' O ' ' A' ' 239' ' ' GLY . 0.0 OUTLIER 147.4 -154.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 241' ' ' THR . . . . . 0.634 HG21 ' O ' ' A' ' 236' ' ' ILE . 1.8 t 49.68 42.63 23.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.441 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.588 ' O ' HG23 ' A' ' 242' ' ' THR . 0.4 OUTLIER 62.12 13.61 5.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 243' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.19 73.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 244' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 245' ' ' SER . 0.6 OUTLIER -156.16 -53.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 245' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 244' ' ' LYS . 3.3 p 158.61 152.8 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 246' ' ' PRO . . . . . 0.7 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo -74.97 128.44 11.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 247' ' ' PHE . . . . . 0.699 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 2.0 t80 -12.26 77.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 1.066 HG13 ' CZ ' ' A' ' 347' ' ' PHE . 3.8 t -53.03 138.39 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 249' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 349' ' ' THR . 0.2 OUTLIER -120.57 106.99 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 250' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 249' ' ' ILE . 7.9 t80 166.09 -28.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 251' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 255' ' ' LEU . 3.7 p30 -84.19 145.78 28.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 252' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 251' ' ' ASP . 2.8 tmm? -36.01 -51.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.42 ' CB ' ' OD1' ' A' ' 251' ' ' ASP . 1.5 t30 -49.46 -66.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 254' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 248' ' ' VAL . 23.9 p -60.04 -57.79 11.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 255' ' ' LEU . . . . . 0.493 HD23 ' C ' ' A' ' 255' ' ' LEU . 6.1 tt -40.3 -40.89 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 256' ' ' MET . . . . . 0.486 ' C ' ' H ' ' A' ' 258' ' ' GLY . 0.1 OUTLIER -68.21 -65.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 257' ' ' MET . . . . . 0.598 ' O ' ' HB2' ' A' ' 261' ' ' LYS . 0.0 OUTLIER -58.62 -3.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.051 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 258' ' ' GLY . . . . . 0.509 ' O ' ' CG1' ' A' ' 262' ' ' ILE . . . -99.5 -77.75 1.33 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.509 ' OE2' ' NE ' ' A' ' 280' ' ' ARG . 1.2 mt-10 -55.44 -10.94 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 260' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 264' ' ' PHE . 4.2 m-20 -99.3 -51.56 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 261' ' ' LYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 257' ' ' MET . 18.4 mmmt -77.72 -77.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.651 HG22 ' CG ' ' A' ' 343' ' ' GLU . 0.9 OUTLIER -40.81 -30.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.511 ' N ' HG13 ' A' ' 262' ' ' ILE . 0.5 OUTLIER -94.06 -81.29 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 264' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 260' ' ' ASP . 72.4 t80 55.44 164.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 264' ' ' PHE . 18.3 tttt 36.68 87.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 266' ' ' HIS . . . . . 0.494 ' O ' ' CG ' ' A' ' 266' ' ' HIS . 4.3 p80 -160.31 60.76 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.565 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 28.6 mm -120.18 107.39 20.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 268' ' ' THR . . . . . 0.963 HG22 ' HG ' ' A' ' 270' ' ' LEU . 0.4 OUTLIER -149.97 173.71 4.07 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 269' ' ' PRO . . . . . 0.84 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.1 Cg_endo -74.98 51.72 2.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.963 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.2 OUTLIER -88.6 -105.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 271' ' ' GLN . . . . . 0.445 ' O ' ' O ' ' A' ' 270' ' ' LEU . 15.2 pt20 42.11 -167.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 67.69 -70.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 273' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 271' ' ' GLN . 0.0 OUTLIER -163.96 71.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 274' ' ' SER . . . . . 0.511 ' O ' ' C ' ' A' ' 275' ' ' LYS . 3.8 t -147.89 158.46 44.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.968 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 274' ' ' SER . 0.0 OUTLIER 31.2 80.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.364 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 276' ' ' GLU . . . . . 0.616 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 1.2 pt-20 -72.81 177.35 4.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 277' ' ' VAL . . . . . 0.496 HG12 HD22 ' A' ' 356' ' ' LEU . 15.4 t -51.55 -16.58 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 278' ' ' ALA . . . . . 0.706 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -83.47 -68.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 0.513 ' C ' ' O ' ' A' ' 278' ' ' ALA . 1.3 mp -31.59 -36.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 280' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 278' ' ' ALA . 4.6 mtp180 -77.41 -54.72 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 281' ' ' ILE . . . . . 1.071 HD11 ' CZ ' ' A' ' 352' ' ' PHE . 0.6 OUTLIER -74.31 -47.68 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 282' ' ' PHE . . . . . 0.797 ' CD2' ' CZ ' ' A' ' 360' ' ' PHE . 0.5 OUTLIER -50.26 -44.74 53.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 283' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 21.8 mt-30 -67.01 -36.43 82.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 284' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -81.17 -57.14 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 285' ' ' CYS . . . . . 0.618 ' N ' ' O ' ' A' ' 281' ' ' ILE . 1.7 p -55.23 -15.47 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 286' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 3.4 tt0 -107.89 -23.31 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 287' ' ' PHE . . . . . 0.708 ' CE1' ' CG ' ' A' ' 291' ' ' GLU . 8.9 t80 -50.73 -48.26 59.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 288' ' ' ARG . . . . . 0.569 ' NH2' ' CE2' ' A' ' 287' ' ' PHE . 2.1 mmp_? -48.18 -21.88 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 289' ' ' SER . . . . . 0.536 ' HA ' HD13 ' A' ' 326' ' ' ILE . 1.0 OUTLIER -83.45 -59.61 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 290' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 287' ' ' PHE . 3.0 m -53.27 -23.77 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 291' ' ' GLU . . . . . 0.708 ' CG ' ' CE1' ' A' ' 287' ' ' PHE . 30.2 mt-10 -78.5 -61.52 1.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 292' ' ' ALA . . . . . 0.755 ' HB3' ' CD1' ' A' ' 326' ' ' ILE . . . -34.44 -56.83 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 293' ' ' VAL . . . . . 0.578 HG22 HG11 ' A' ' 322' ' ' VAL . 17.1 t -39.33 -46.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.546 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.8 mt-30 -72.35 -29.37 63.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 295' ' ' GLU . . . . . 0.725 ' C ' ' HG ' ' A' ' 225' ' ' SER . 6.7 mm-40 -76.72 -57.15 4.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 296' ' ' ILE . . . . . 0.972 HG21 HD21 ' A' ' 318' ' ' LEU . 2.2 mp -37.75 -63.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 297' ' ' THR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -40.07 -60.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.47 -27.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 299' ' ' TYR . . . . . 0.781 ' CZ ' ' HB2' ' A' ' 222' ' ' TYR . 0.8 OUTLIER -108.14 -33.83 7.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.776 ' N ' ' O ' ' A' ' 296' ' ' ILE . . . -61.82 -56.35 20.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -50.78 -1.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 302' ' ' SER . . . . . 0.756 ' CB ' ' OG ' ' A' ' 221' ' ' SER . 8.2 p -73.49 -39.01 65.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 303' ' ' ILE . . . . . 0.819 HD13 ' CD2' ' A' ' 393' ' ' LEU . 1.7 mt -56.92 129.47 78.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 304' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.3 Cg_endo -74.95 47.46 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 305' ' ' GLY . . . . . 0.593 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -167.35 -27.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.779 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 65.6 t80 -55.34 -60.25 3.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -23.76 33.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -73.55 -14.06 61.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.779 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.2 mt -69.91 -109.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 310' ' ' ASP . . . . . 0.694 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -144.77 151.32 38.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -46.99 79.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 312' ' ' ASN . . . . . 0.565 ' CB ' HD11 ' A' ' 401' ' ' LEU . 10.5 m120 -78.46 -50.49 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 313' ' ' ASP . . . . . 0.878 ' N ' HD12 ' A' ' 401' ' ' LEU . 43.6 t0 -47.49 -53.23 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 314' ' ' GLN . . . . . 0.673 ' HA ' HD21 ' A' ' 317' ' ' LEU . 4.1 mt-30 -50.71 -47.21 59.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 315' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 316' ' ' THR . 1.1 t -69.84 -50.19 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.734 HG21 ' O ' ' A' ' 399' ' ' GLY . 1.3 m -42.15 -59.35 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 317' ' ' LEU . . . . . 0.775 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.3 OUTLIER -50.53 -56.34 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 318' ' ' LEU . . . . . 0.972 HD21 HG21 ' A' ' 296' ' ' ILE . 0.2 OUTLIER -54.48 -49.87 69.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -41.49 -42.77 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 320' ' ' TYR . . . . . 0.514 ' O ' ' HD2' ' A' ' 397' ' ' ARG . 11.1 m-85 -113.37 5.15 16.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 321' ' ' GLY . . . . . 0.775 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -107.4 -54.3 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 322' ' ' VAL . . . . . 0.934 ' HB ' HD23 ' A' ' 318' ' ' LEU . 2.9 p -37.16 -32.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 323' ' ' HIS . . . . . 0.605 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 17.7 m170 -56.65 -68.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 324' ' ' GLU . . . . . 0.812 ' O ' ' HB ' ' A' ' 328' ' ' THR . 0.9 OUTLIER -58.86 -2.98 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 325' ' ' ILE . . . . . 0.992 HD12 HG22 ' A' ' 391' ' ' ILE . 1.1 mp -93.92 -61.14 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 326' ' ' ILE . . . . . 1.003 HG22 HD22 ' A' ' 330' ' ' LEU . 38.9 mt -56.65 -40.89 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.81 ' CD2' HG22 ' A' ' 446' ' ' VAL . 23.6 m-85 -78.31 -21.31 49.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 328' ' ' THR . . . . . 0.812 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 0.6 OUTLIER -56.82 -58.73 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.94 ' O ' HD22 ' A' ' 333' ' ' LEU . 11.7 ptm -90.17 -31.51 17.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 1.003 HD22 HG22 ' A' ' 326' ' ' ILE . 0.4 OUTLIER -35.84 -64.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 331' ' ' ALA . . . . . 0.882 ' HB1' ' CB ' ' A' ' 371' ' ' ALA . . . -34.0 -49.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 332' ' ' SER . . . . . 0.796 ' HB3' ' CG ' ' A' ' 230' ' ' LYS . 0.8 OUTLIER -59.1 -48.06 82.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 1.034 HD12 ' HB2' ' A' ' 233' ' ' ALA . 0.1 OUTLIER -77.52 31.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 334' ' ' MET . . . . . 0.718 ' SD ' HG12 ' A' ' 339' ' ' VAL . 2.9 mmt -108.76 173.44 6.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 335' ' ' ASN . . . . . 0.725 ' O ' ' CD1' ' A' ' 368' ' ' PHE . 3.0 t-20 -140.19 167.87 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 336' ' ' LYS . . . . . 0.765 ' O ' ' CZ ' ' A' ' 368' ' ' PHE . 0.1 OUTLIER -58.29 -45.24 88.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 337' ' ' ASP . . . . . 0.641 ' HA ' ' NH1' ' A' ' 350' ' ' ARG . 1.6 m-20 -135.45 42.23 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 338' ' ' GLY . . . . . 0.812 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -175.88 178.22 47.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 339' ' ' VAL . . . . . 0.718 HG12 ' SD ' ' A' ' 334' ' ' MET . 17.0 m -148.73 129.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 0.936 HD21 ' CD1' ' A' ' 237' ' ' LEU . 1.9 mm? -52.87 127.13 22.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 341' ' ' ILE . . . . . 0.957 HG23 ' HA ' ' A' ' 347' ' ' PHE . 0.3 OUTLIER -126.48 129.8 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 342' ' ' SER . . . . . 0.506 ' O ' ' O ' ' A' ' 341' ' ' ILE . 27.8 t -36.27 -96.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.651 ' CG ' HG22 ' A' ' 262' ' ' ILE . 0.0 OUTLIER 34.61 -148.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 344' ' ' GLY . . . . . 0.441 ' N ' ' OE1' ' A' ' 343' ' ' GLU . . . -71.09 28.75 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 345' ' ' GLN . . . . . 0.584 ' H ' ' C ' ' A' ' 343' ' ' GLU . 4.4 mp0 68.24 73.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 346' ' ' GLY . . . . . 0.699 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . -136.19 -136.81 3.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 1.066 ' CZ ' HG13 ' A' ' 248' ' ' VAL . 3.2 p90 -178.03 143.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 0.735 . . . . 0.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.527 ' O ' ' HA2' ' A' ' 338' ' ' GLY . 4.1 mtp -91.5 115.08 27.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 349' ' ' THR . . . . . 0.958 HG22 ' CE1' ' A' ' 347' ' ' PHE . 2.3 p -71.56 155.7 40.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.431 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 350' ' ' ARG . . . . . 0.872 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 0.0 OUTLIER -69.0 -52.92 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 351' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 355' ' ' SER . 8.2 mm-40 -46.81 -19.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 352' ' ' PHE . . . . . 1.071 ' CZ ' HD11 ' A' ' 281' ' ' ILE . 6.5 t80 -89.14 -74.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 353' ' ' LEU . . . . . 0.884 HD21 ' SD ' ' A' ' 364' ' ' MET . 0.3 OUTLIER -41.03 -54.54 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 354' ' ' LYS . . . . . 0.655 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.4 OUTLIER -57.56 -49.2 77.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 355' ' ' SER . . . . . 0.464 ' C ' ' HG ' ' A' ' 356' ' ' LEU . 1.7 m -51.28 78.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 356' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 354' ' ' LYS . 0.7 OUTLIER 165.81 -159.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 357' ' ' ARG . . . . . 0.616 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.0 OUTLIER -29.95 127.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 358' ' ' LYS . . . . . 0.744 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -44.12 -47.05 23.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.744 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.02 -78.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.444 1.76 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 360' ' ' PHE . . . . . 0.797 ' CZ ' ' CD2' ' A' ' 282' ' ' PHE . 2.0 m-85 -45.7 -13.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 361' ' ' GLY . . . . . 0.652 ' C ' ' HA ' ' A' ' 354' ' ' LYS . . . -92.41 45.86 2.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 362' ' ' ASP . . . . . . . . . . . . . 21.5 t0 178.15 58.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 363' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -124.95 33.45 5.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 364' ' ' MET . . . . . 0.884 ' SD ' HD21 ' A' ' 353' ' ' LEU . 0.0 OUTLIER -157.03 -42.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 365' ' ' GLU . . . . . 0.872 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 0.8 OUTLIER -46.5 -39.02 12.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.746 ' HD2' ' C ' ' A' ' 364' ' ' MET . 18.2 Cg_endo -74.96 -26.58 10.87 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 367' ' ' LYS . . . . . 0.689 ' HB2' ' HE3' ' A' ' 334' ' ' MET . 11.9 mttt -73.52 -57.03 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 368' ' ' PHE . . . . . 0.765 ' CZ ' ' O ' ' A' ' 336' ' ' LYS . 0.0 OUTLIER -58.97 -50.94 72.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 369' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 368' ' ' PHE . 2.0 tt0 -48.19 -52.7 19.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 370' ' ' PHE . . . . . 0.889 ' CD2' HD11 ' A' ' 445' ' ' ILE . 3.3 m-85 -55.5 -35.56 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 371' ' ' ALA . . . . . 0.882 ' CB ' ' HB1' ' A' ' 331' ' ' ALA . . . -64.18 -45.74 87.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -50.71 -21.81 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 373' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 370' ' ' PHE . 0.0 OUTLIER -107.47 -20.97 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 374' ' ' PHE . . . . . 1.07 ' CZ ' HD23 ' A' ' 442' ' ' LEU . 0.7 OUTLIER -89.29 -35.31 16.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 375' ' ' ASN . . . . . 0.436 HD21 ' HB1' ' A' ' 371' ' ' ALA . 19.4 m120 -49.34 -15.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.501 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -88.75 36.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.822 HD22 ' HG3' ' A' ' 438' ' ' LYS . 1.1 pp -160.52 2.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 378' ' ' GLU . . . . . 0.847 ' OE1' HD13 ' A' ' 384' ' ' LEU . 3.9 mt-10 -104.05 113.24 26.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 425' ' ' HIS . 4.2 mm? -81.96 -111.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 380' ' ' ASP . . . . . 0.601 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 27.9 p30 -106.37 141.16 38.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 381' ' ' ASP . . . . . 0.476 ' HA ' HD12 ' A' ' 384' ' ' LEU . 8.7 m-20 -35.94 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 382' ' ' SER . . . . . 0.6 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 3.3 m -58.71 -61.82 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.046 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 383' ' ' ASP . . . . . 0.54 ' CG ' ' OD1' ' A' ' 380' ' ' ASP . 4.4 m-20 -60.27 -27.79 67.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.847 HD13 ' OE1' ' A' ' 378' ' ' GLU . 4.2 mt -75.86 -55.25 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 385' ' ' ALA . . . . . 0.891 ' O ' HG22 ' A' ' 388' ' ' ILE . . . -38.16 -40.87 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.836 ' HA ' HD12 ' A' ' 218' ' ' LEU . 14.5 mt -71.98 -49.0 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 387' ' ' PHE . . . . . 0.859 ' CE2' HD23 ' A' ' 436' ' ' LEU . 6.9 t80 -39.35 -58.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 388' ' ' ILE . . . . . 0.891 HG22 ' O ' ' A' ' 385' ' ' ALA . 8.1 tt -43.81 -33.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 389' ' ' ALA . . . . . 0.583 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -74.78 -42.36 58.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.603 ' O ' ' NE2' ' A' ' 410' ' ' GLN . 59.0 t -59.35 -11.65 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.992 HG22 HD12 ' A' ' 325' ' ' ILE . 4.2 mp -113.69 -20.68 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 392' ' ' ILE . . . . . 0.672 ' N ' HD11 ' A' ' 325' ' ' ILE . 0.2 OUTLIER -69.08 -52.94 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 1.034 HD23 HD11 ' A' ' 413' ' ' LEU . 3.1 mm? -64.54 53.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 394' ' ' SER . . . . . 0.855 ' CB ' HD11 ' A' ' 400' ' ' LEU . 0.5 OUTLIER 28.49 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 395' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 393' ' ' LEU . . . 55.63 20.18 23.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 396' ' ' ASP . . . . . 0.456 ' HB3' ' NH2' ' A' ' 397' ' ' ARG . 0.3 OUTLIER 167.91 35.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 397' ' ' ARG . . . . . 0.61 ' CG ' ' OG ' ' A' ' 394' ' ' SER . 1.4 mmt180 -118.52 127.54 26.51 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.333 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 133.89 17.17 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.458 1.768 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 399' ' ' GLY . . . . . 0.734 ' O ' HG21 ' A' ' 316' ' ' THR . . . 91.09 31.46 9.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.855 HD11 ' CB ' ' A' ' 394' ' ' SER . 2.4 mt -78.85 175.14 10.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.878 HD12 ' N ' ' A' ' 313' ' ' ASP . 30.9 mt -117.31 -68.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 402' ' ' ASN . . . . . 1.058 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 3.3 m-20 -106.82 75.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 403' ' ' VAL . . . . . 0.579 ' N ' HD12 ' A' ' 406' ' ' ILE . 1.2 t -65.67 -7.72 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.681 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 12.3 mtmt -78.02 -54.01 1.35 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 405' ' ' PRO . . . . . 1.058 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -74.97 -38.81 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 406' ' ' ILE . . . . . 0.88 HD12 ' C ' ' A' ' 402' ' ' ASN . 3.8 mt -57.53 -71.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.21 -23.18 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 408' ' ' ASP . . . . . 0.681 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 49.5 m-20 -74.72 -51.59 13.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 409' ' ' ILE . . . . . 0.747 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 4.7 mm -56.43 -22.37 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 410' ' ' GLN . . . . . 0.611 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.1 OUTLIER -74.33 -45.77 45.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -44.12 -25.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' ASN . . . . . 0.434 ' N ' ' C ' ' A' ' 410' ' ' GLN . 12.5 t30 -84.42 -66.52 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 1.034 HD11 HD23 ' A' ' 393' ' ' LEU . 0.1 OUTLIER -42.85 -41.22 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.522 ' CD2' ' CE2' ' A' ' 432' ' ' PHE . 0.2 OUTLIER -60.12 -48.93 79.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.613 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 39.4 mt-30 -50.46 -55.54 15.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 1.067 ' HB2' HD23 ' A' ' 214' ' ' LEU . . . -52.77 -45.52 67.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 1.086 HD11 ' HB2' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -49.15 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 418' ' ' GLU . . . . . 1.014 ' H ' HD13 ' A' ' 417' ' ' LEU . 7.2 tm-20 -55.4 -19.1 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 1.199 ' CD1' HD22 ' A' ' 211' ' ' LEU . 0.3 OUTLIER -68.62 -84.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 420' ' ' GLN . . . . . 0.706 ' N ' HD23 ' A' ' 419' ' ' LEU . 0.0 OUTLIER -57.36 -8.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.788 HD13 HD21 ' A' ' 417' ' ' LEU . 9.6 tt -91.89 -50.54 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 422' ' ' LYS . . . . . 0.6 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 0.7 OUTLIER -71.36 -2.37 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.432 ' CD1' HD21 ' A' ' 211' ' ' LEU . 10.5 mt -104.9 -45.44 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 425' ' ' HIS . 2.5 m120 -73.41 -9.11 58.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.576 ' CD2' ' HG ' ' A' ' 379' ' ' LEU . 0.0 OUTLIER -167.28 69.28 0.95 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.56 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.6 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.2 Cg_endo -75.05 115.49 4.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 428' ' ' SER . 16.4 pt-20 -174.56 125.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 428' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 427' ' ' GLU . 0.3 OUTLIER 84.06 -166.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 429' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 431' ' ' LEU . 53.0 m -129.73 154.69 46.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 430' ' ' GLN . . . . . 0.627 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER 39.97 27.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 431' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 429' ' ' SER . 34.0 tp -40.13 -43.19 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 432' ' ' PHE . . . . . 1.086 ' HB2' HD11 ' A' ' 417' ' ' LEU . 25.8 p90 -72.58 -37.69 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 433' ' ' ALA . . . . . 0.627 ' HB3' ' HB2' ' A' ' 430' ' ' GLN . . . -56.33 -25.22 48.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -104.25 -17.93 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' LEU . . . . . 0.814 ' O ' HD12 ' A' ' 435' ' ' LEU . 0.1 OUTLIER -82.71 -30.72 28.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.859 HD23 ' CE2' ' A' ' 387' ' ' PHE . 79.9 mt -75.71 -43.9 44.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' GLN . . . . . 0.64 ' O ' HG23 ' A' ' 440' ' ' THR . 3.0 mt-30 -43.43 -16.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.822 ' HG3' HD22 ' A' ' 377' ' ' LEU . 1.3 mmpp? -50.79 -24.66 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' MET . . . . . 0.607 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -28.05 -41.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 437' ' ' GLN . 66.6 p -33.86 -74.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 110.413 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.617 ' O ' HG13 ' A' ' 445' ' ' ILE . 0.2 OUTLIER -57.9 -24.27 56.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 1.07 HD23 ' CZ ' ' A' ' 374' ' ' PHE . 0.1 OUTLIER -73.76 -76.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 443' ' ' ARG . . . . . 0.607 ' N ' ' O ' ' A' ' 439' ' ' MET . 6.9 ttp180 -49.7 -18.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.9 ' O ' HG22 ' A' ' 447' ' ' THR . 7.2 mm-40 -69.65 -65.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.889 HD11 ' CD2' ' A' ' 370' ' ' PHE . 0.3 OUTLIER -43.17 -43.37 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.81 HG22 ' CD2' ' A' ' 327' ' ' TYR . 10.6 t -51.94 -69.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' THR . . . . . 0.9 HG22 ' O ' ' A' ' 444' ' ' GLN . 8.9 t -45.27 -24.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 446' ' ' VAL . 8.0 mt-10 -80.48 -53.41 6.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -43.92 -29.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.538 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' VAL . . . . . 0.956 HG12 ' HB2' ' A' ' 454' ' ' GLN . 4.0 t -86.51 -47.75 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 451' ' ' GLN . . . . . 0.613 ' O ' HG23 ' A' ' 455' ' ' VAL . 44.5 mt-30 -40.15 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.588 ' HB2' ' CE1' ' A' ' 363' ' ' PHE . 7.8 mt -89.43 -57.46 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.618 ' HA ' ' CG1' ' A' ' 456' ' ' ILE . 5.0 tp -70.15 -7.33 40.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLN . . . . . 0.956 ' HB2' HG12 ' A' ' 450' ' ' VAL . 2.2 tp60 -94.69 -46.83 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 451' ' ' GLN . 77.3 t -69.85 -14.3 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.928 HD12 ' N ' ' A' ' 457' ' ' LYS . 2.4 pp -99.13 -52.61 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.928 ' N ' HD12 ' A' ' 456' ' ' ILE . 0.0 OUTLIER -56.46 -16.39 5.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.74 ' HG3' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -113.68 -22.1 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 459' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 459' ' ' THR . 3.0 m -153.89 56.79 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.2 mm-40 -51.14 172.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -69.61 -29.62 67.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 462' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 461' ' ' THR . 3.2 t0 168.97 46.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' MET . . . . . 0.471 ' O ' ' CB ' ' A' ' 464' ' ' SER . 0.5 OUTLIER 59.14 145.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 463' ' ' MET . 0.6 OUTLIER 161.35 44.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.034 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.789 HD23 ' C ' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -138.5 169.72 17.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 466' ' ' HIS . . . . . 1.077 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 8.1 p80 -119.28 -172.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.618 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 467' ' ' PRO . . . . . 1.077 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.98 -43.75 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.682 HD12 ' ND1' ' A' ' 466' ' ' HIS . 0.6 OUTLIER -47.04 -18.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 0.0 109.365 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.794 HD21 ' CE1' ' A' ' 466' ' ' HIS . 13.5 mt -93.86 -55.64 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -47.51 -29.37 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 471' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 467' ' ' PRO . 35.5 mt-10 -75.72 -51.5 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 472' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.1 mm -46.33 -57.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 473' ' ' TYR . . . . . 0.537 ' CZ ' ' HD3' ' A' ' 457' ' ' LYS . 1.4 t80 -55.52 -51.49 66.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.95 161.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -92.02 159.94 15.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 8.8 tt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.606 ' HG2' HD11 ' A' ' 419' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 208' ' ' SER . . . . . 0.699 ' O ' ' C ' ' A' ' 209' ' ' ALA . 3.6 m -65.4 -59.83 3.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.973 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.699 ' C ' ' O ' ' A' ' 208' ' ' SER . . . -8.2 -63.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 210' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 214' ' ' LEU . 0.0 OUTLIER -86.57 -57.37 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.865 HD11 ' CB ' ' A' ' 416' ' ' ALA . 0.2 OUTLIER -40.88 -63.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 212' ' ' ARG . . . . . 0.708 HH22 ' NE2' ' A' ' 420' ' ' GLN . 9.7 mmt180 -56.05 -37.91 69.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 209' ' ' ALA . . . -69.89 -60.51 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 214' ' ' LEU . . . . . 0.673 ' N ' ' O ' ' A' ' 210' ' ' ASP . 0.3 OUTLIER -49.53 -34.3 17.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 215' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 217' ' ' HIS . . . -53.1 -70.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 216' ' ' LYS . . . . . 0.803 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -35.59 -34.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 217' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 220' ' ' ASP . 40.4 t60 -69.43 -66.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.646 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.805 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 0.1 OUTLIER -34.33 -56.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 219' ' ' TYR . . . . . 1.069 ' CE1' ' HA ' ' A' ' 382' ' ' SER . 59.9 m-85 -73.56 -26.41 60.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 220' ' ' ASP . . . . . 0.803 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 9.2 t0 -56.83 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 221' ' ' SER . . . . . 0.583 ' HB3' ' CB ' ' A' ' 302' ' ' SER . 14.6 t -53.0 -27.38 18.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 222' ' ' TYR . . . . . 0.811 ' CD2' ' CE2' ' A' ' 299' ' ' TYR . 0.8 OUTLIER -74.91 -47.3 30.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 111.036 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.599 ' N ' ' O ' ' A' ' 219' ' ' TYR . 1.1 mp -55.96 -10.66 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 224' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 220' ' ' ASP . 1.2 mptp? -98.0 -44.7 6.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 225' ' ' SER . . . . . 0.58 ' OG ' ' O ' ' A' ' 295' ' ' GLU . 43.3 t -62.91 -84.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 226' ' ' PHE . . . . . 0.625 ' CZ ' ' HB3' ' A' ' 228' ' ' LEU . 6.1 t80 -113.42 96.47 39.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 227' ' ' PRO . . . . . 0.632 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.2 Cg_endo -75.02 -18.92 18.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.639 HD12 HD13 ' A' ' 333' ' ' LEU . 0.9 OUTLIER -61.85 65.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 229' ' ' THR . . . . . 0.632 ' N ' ' O ' ' A' ' 227' ' ' PRO . 12.4 p -86.64 -162.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 230' ' ' LYS . . . . . 0.6 ' HG2' HD11 ' A' ' 384' ' ' LEU . 0.0 OUTLIER -80.34 -27.08 38.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 231' ' ' ALA . . . . . 0.474 ' HB3' ' OD2' ' A' ' 381' ' ' ASP . . . -78.87 -42.09 28.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 232' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 227' ' ' PRO . 3.9 mttp -74.72 -36.81 62.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 233' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 229' ' ' THR . . . -69.84 -42.66 73.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.826 ' NH1' HD13 ' A' ' 237' ' ' LEU . 0.0 OUTLIER -77.73 -4.8 48.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 235' ' ' ALA . . . . . 1.044 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -83.24 -56.32 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.731 ' HA ' ' CG2' ' A' ' 241' ' ' THR . 19.8 pt -73.3 -35.2 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 237' ' ' LEU . . . . . 0.826 HD13 ' NH1' ' A' ' 234' ' ' ARG . 12.7 mt -54.17 -29.45 45.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 238' ' ' THR . . . . . 0.514 ' HA ' ' CB ' ' A' ' 244' ' ' LYS . 1.4 t 176.63 25.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.443 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 239' ' ' GLY . . . . . 1.044 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -116.2 50.36 0.79 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 240' ' ' LYS . . . . . 0.99 ' HB2' ' O ' ' A' ' 239' ' ' GLY . 0.0 OUTLIER 102.17 -115.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 241' ' ' THR . . . . . 0.731 ' CG2' ' HA ' ' A' ' 236' ' ' ILE . 1.6 t 51.35 58.64 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.371 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.591 HG22 ' N ' ' A' ' 243' ' ' ASP . 0.4 OUTLIER 80.22 -58.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.386 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 243' ' ' ASP . . . . . 0.591 ' N ' HG22 ' A' ' 242' ' ' THR . 0.7 OUTLIER -166.47 67.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 244' ' ' LYS . . . . . 0.688 ' N ' ' O ' ' A' ' 240' ' ' LYS . 0.0 OUTLIER 31.4 95.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.247 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 245' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 244' ' ' LYS . 0.9 OUTLIER 158.36 104.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 246' ' ' PRO . . . . . 0.776 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.4 Cg_endo -74.97 124.99 9.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 247' ' ' PHE . . . . . 0.638 ' C ' ' O ' ' A' ' 246' ' ' PRO . 12.3 t80 -11.59 73.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 0.999 HG13 ' CZ ' ' A' ' 347' ' ' PHE . 2.8 t -50.49 139.03 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 249' ' ' ILE . . . . . 0.574 HG22 ' O ' ' A' ' 249' ' ' ILE . 0.1 OUTLIER -129.08 105.48 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 250' ' ' TYR . . . . . 0.41 ' HB3' HG21 ' A' ' 349' ' ' THR . 0.1 OUTLIER 177.93 -30.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 251' ' ' ASP . . . . . 0.502 ' N ' ' OG ' ' A' ' 254' ' ' SER . 0.3 OUTLIER -64.99 173.75 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.346 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 252' ' ' MET . . . . . . . . . . . . . 33.6 mtt -60.11 -40.02 88.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -61.1 -48.06 83.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 254' ' ' SER . . . . . 0.502 ' OG ' ' N ' ' A' ' 251' ' ' ASP . 1.4 p -58.52 -67.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 255' ' ' LEU . . . . . 0.622 ' C ' HD13 ' A' ' 255' ' ' LEU . 0.4 OUTLIER -40.66 -50.22 3.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 256' ' ' MET . . . . . 0.601 ' N ' HD13 ' A' ' 255' ' ' LEU . 1.8 ttm -53.75 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 257' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 261' ' ' LYS . 26.2 ptm -52.49 -12.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 258' ' ' GLY . . . . . 0.666 ' O ' HG22 ' A' ' 262' ' ' ILE . . . -85.65 -94.66 0.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.534 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 0.9 OUTLIER -45.09 -21.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 260' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 256' ' ' MET . 4.4 t70 -95.77 -64.4 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 261' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 257' ' ' MET . 0.7 OUTLIER -95.96 55.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 258' ' ' GLY . 0.7 OUTLIER -169.24 -38.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 264' ' ' PHE . 0.1 OUTLIER -102.37 -27.65 12.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 264' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 260' ' ' ASP . 0.7 OUTLIER -36.47 -45.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 266' ' ' HIS . 26.6 tttt -46.92 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 266' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 265' ' ' LYS . 9.1 p-80 54.99 171.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.55 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 267' ' ' ILE . 7.2 mm -88.89 -76.29 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 268' ' ' THR . . . . . 1.025 HG22 ' HG ' ' A' ' 270' ' ' LEU . 0.5 OUTLIER -137.35 174.69 4.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.446 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 269' ' ' PRO . . . . . 0.794 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.2 Cg_endo -74.98 50.15 2.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 1.025 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.2 OUTLIER -86.54 -99.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 271' ' ' GLN . . . . . 0.51 ' O ' ' CG ' ' A' ' 271' ' ' GLN . 1.9 pt20 29.38 46.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 272' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 270' ' ' LEU . 0.0 OUTLIER -59.16 80.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 273' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 271' ' ' GLN . 1.0 OUTLIER 45.79 25.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 89.4 p -126.24 62.14 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.459 ' HA ' HG21 ' A' ' 279' ' ' ILE . 1.1 tmmt? -144.07 142.51 30.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 276' ' ' GLU . . . . . 0.756 ' OE2' ' HB3' ' A' ' 278' ' ' ALA . 0.2 OUTLIER -137.64 164.66 28.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 277' ' ' VAL . . . . . 0.566 HG13 ' NH2' ' A' ' 280' ' ' ARG . 2.8 t -50.47 -32.19 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 278' ' ' ALA . . . . . 0.831 ' HB1' ' O ' ' A' ' 360' ' ' PHE . . . -77.98 -70.25 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 0.612 ' C ' ' O ' ' A' ' 278' ' ' ALA . 0.4 OUTLIER -22.31 -45.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 280' ' ' ARG . . . . . 0.652 ' N ' ' O ' ' A' ' 278' ' ' ALA . 1.5 ptt180 -75.83 -55.18 5.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 281' ' ' ILE . . . . . 0.639 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.4 OUTLIER -70.93 -44.41 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 282' ' ' PHE . . . . . 0.795 ' CE1' ' CE2' ' A' ' 360' ' ' PHE . 0.1 OUTLIER -51.67 -48.87 63.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 283' ' ' GLN . . . . . 0.539 ' HG3' ' N ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -57.81 -36.07 71.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 284' ' ' GLY . . . . . 0.539 ' N ' ' HG3' ' A' ' 283' ' ' GLN . . . -82.56 -56.45 2.8 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 285' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 353' ' ' LEU . 1.5 m -54.02 -14.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 286' ' ' GLN . . . . . 0.473 ' N ' ' C ' ' A' ' 284' ' ' GLY . 33.5 tp60 -107.55 -24.5 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 287' ' ' PHE . . . . . 0.684 ' HA ' HG22 ' A' ' 290' ' ' VAL . 17.1 t80 -55.07 -28.73 54.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -21.31 65.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 289' ' ' SER . . . . . 0.696 ' HA ' HD13 ' A' ' 326' ' ' ILE . 13.4 t -87.11 -59.59 2.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 290' ' ' VAL . . . . . 0.684 HG22 ' HA ' ' A' ' 287' ' ' PHE . 27.3 m -50.23 -22.84 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 291' ' ' GLU . . . . . 0.635 ' O ' ' N ' ' A' ' 294' ' ' GLN . 46.2 mt-10 -82.77 -59.19 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 292' ' ' ALA . . . . . 0.63 ' CB ' HG12 ' A' ' 326' ' ' ILE . . . -31.99 -57.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 293' ' ' VAL . . . . . 0.605 ' HA ' HD22 ' A' ' 318' ' ' LEU . 1.5 p -43.61 -45.44 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.635 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.7 mt-30 -72.16 -26.3 62.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 295' ' ' GLU . . . . . 0.58 ' O ' ' OG ' ' A' ' 225' ' ' SER . 5.7 mt-10 -78.98 -61.58 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 296' ' ' ILE . . . . . 0.955 HG21 HD12 ' A' ' 392' ' ' ILE . 3.6 mt -40.85 -66.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 297' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 299' ' ' TYR . 0.9 OUTLIER -40.52 -63.41 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 110.434 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.83 -26.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 299' ' ' TYR . . . . . 0.811 ' CE2' ' CD2' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -102.68 -55.68 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 1.032 ' O ' ' N ' ' A' ' 302' ' ' SER . . . -34.11 -49.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -37.66 0.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 302' ' ' SER . . . . . 1.032 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -75.47 -39.86 58.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 303' ' ' ILE . . . . . 0.627 HD13 ' CD2' ' A' ' 393' ' ' LEU . 0.9 OUTLIER -61.81 130.72 92.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 304' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.5 Cg_endo -74.98 48.02 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.427 1.751 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 305' ' ' GLY . . . . . 0.802 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -169.6 -30.39 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.575 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 52.1 t80 -44.51 -63.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -28.58 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -76.74 -0.52 24.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 1.015 HD11 HD11 ' A' ' 393' ' ' LEU . 25.9 mt -81.79 -71.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 310' ' ' ASP . . . . . 0.809 ' CG ' HD12 ' A' ' 401' ' ' LEU . 6.2 t0 178.23 158.06 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 311' ' ' LEU . . . . . 0.552 HD23 ' H ' ' A' ' 311' ' ' LEU . 0.2 OUTLIER -73.75 -46.01 48.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 312' ' ' ASN . . . . . 0.846 ' HB2' HD11 ' A' ' 401' ' ' LEU . 21.4 m-80 -81.53 -58.7 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 313' ' ' ASP . . . . . 0.757 ' HB3' ' HB3' ' A' ' 310' ' ' ASP . 50.1 t0 -35.4 -59.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 314' ' ' GLN . . . . . 1.071 ' NE2' HD21 ' A' ' 317' ' ' LEU . 0.8 OUTLIER -60.58 -45.61 93.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 315' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 311' ' ' LEU . 6.6 t -63.65 -36.79 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.893 HG21 ' C ' ' A' ' 399' ' ' GLY . 1.0 OUTLIER -60.89 -61.32 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 317' ' ' LEU . . . . . 1.071 HD21 ' NE2' ' A' ' 314' ' ' GLN . 0.3 OUTLIER -44.54 -47.81 10.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 318' ' ' LEU . . . . . 0.975 HD11 HD11 ' A' ' 392' ' ' ILE . 0.3 OUTLIER -62.61 -50.24 72.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -42.62 -28.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 320' ' ' TYR . . . . . 0.475 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 1.1 m-85 -132.87 5.97 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 321' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -106.17 -45.68 1.24 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.573 1.171 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 322' ' ' VAL . . . . . 0.933 HG22 HD11 ' A' ' 326' ' ' ILE . 4.3 p -39.11 -28.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 323' ' ' HIS . . . . . 0.513 ' O ' ' CG ' ' A' ' 327' ' ' TYR . 34.8 m80 -66.21 -44.47 83.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 324' ' ' GLU . . . . . 0.998 ' HA ' ' CE1' ' A' ' 327' ' ' TYR . 23.2 mt-10 -76.15 4.19 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 325' ' ' ILE . . . . . 0.928 HG23 HG12 ' A' ' 388' ' ' ILE . 0.9 OUTLIER -109.77 -44.46 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 326' ' ' ILE . . . . . 0.933 HD11 HG22 ' A' ' 322' ' ' VAL . 3.8 mt -76.29 -37.4 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.998 ' CE1' ' HA ' ' A' ' 324' ' ' GLU . 0.0 OUTLIER -77.5 -5.23 49.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 328' ' ' THR . . . . . 0.918 ' N ' ' HD1' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -87.82 -56.99 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.695 ' SD ' HD11 ' A' ' 333' ' ' LEU . 4.9 ptt? -85.46 -21.03 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.705 ' HB2' ' O ' ' A' ' 326' ' ' ILE . 1.6 mt -39.96 -63.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 331' ' ' ALA . . . . . 1.036 ' HA ' ' HB2' ' A' ' 371' ' ' ALA . . . -30.45 -56.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 332' ' ' SER . . . . . 0.56 ' CB ' ' HB2' ' A' ' 230' ' ' LYS . 67.2 m -59.27 -49.58 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.792 ' N ' HD23 ' A' ' 333' ' ' LEU . 0.2 OUTLIER -66.07 -12.46 55.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 334' ' ' MET . . . . . 0.813 ' CE ' ' HB3' ' A' ' 367' ' ' LYS . 5.3 mtp -90.17 174.76 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 335' ' ' ASN . . . . . 0.643 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.7 t-20 -140.45 171.0 14.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 336' ' ' LYS . . . . . 0.643 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -51.06 -57.97 7.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 337' ' ' ASP . . . . . 0.529 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 1.7 m-20 -126.93 37.63 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 338' ' ' GLY . . . . . 0.801 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -167.82 172.71 42.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 339' ' ' VAL . . . . . 0.756 HG13 ' CE1' ' A' ' 368' ' ' PHE . 14.2 m -151.94 129.11 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' A' ' 236' ' ' ILE . 0.8 OUTLIER -35.66 157.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 341' ' ' ILE . . . . . 0.803 HG23 ' HA ' ' A' ' 347' ' ' PHE . 3.1 pt -154.16 136.15 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 342' ' ' SER . . . . . 0.535 ' O ' ' C ' ' A' ' 343' ' ' GLU . 0.4 OUTLIER 50.35 75.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.535 ' C ' ' O ' ' A' ' 342' ' ' SER . 2.8 pm0 -27.8 105.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 111.93 -6.07 27.41 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 345' ' ' GLN . . . . . 0.573 ' O ' ' HB2' ' A' ' 247' ' ' PHE . 25.7 mm-40 -95.69 -96.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.75 . . . . 0.0 110.249 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 346' ' ' GLY . . . . . 0.604 ' HA3' ' HB3' ' A' ' 247' ' ' PHE . . . -150.75 -122.63 1.08 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 0.999 ' CZ ' HG13 ' A' ' 248' ' ' VAL . 8.1 p90 -160.32 149.43 17.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.593 ' N ' ' CG2' ' A' ' 341' ' ' ILE . 1.4 mmm -97.51 114.61 26.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 349' ' ' THR . . . . . 0.801 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 1.5 p -64.97 154.58 37.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 350' ' ' ARG . . . . . 0.86 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 21.4 ttm180 -62.52 -51.52 67.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 351' ' ' GLU . . . . . 0.643 ' HA ' ' HD2' ' A' ' 354' ' ' LYS . 29.4 mm-40 -38.61 -24.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 352' ' ' PHE . . . . . 0.548 ' N ' ' O ' ' A' ' 350' ' ' ARG . 0.3 OUTLIER -88.15 -68.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 353' ' ' LEU . . . . . 0.812 HD11 ' CZ ' ' A' ' 368' ' ' PHE . 0.2 OUTLIER -54.63 -22.67 14.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 354' ' ' LYS . . . . . 0.643 ' HD2' ' HA ' ' A' ' 351' ' ' GLU . 0.1 OUTLIER -85.27 -43.77 13.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 355' ' ' SER . . . . . 0.765 ' O ' HD23 ' A' ' 356' ' ' LEU . 9.6 m -66.88 72.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 356' ' ' LEU . . . . . 0.99 ' HB2' ' CA ' ' A' ' 361' ' ' GLY . 4.1 mt -141.87 -120.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 357' ' ' ARG . . . . . 0.861 ' H ' ' HA3' ' A' ' 361' ' ' GLY . 19.7 ptt180 -124.79 156.2 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 358' ' ' LYS . . . . . 0.821 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -29.06 -64.87 0.17 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 1.161 ' O ' ' N ' ' A' ' 361' ' ' GLY . 18.3 Cg_endo -75.0 172.76 15.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.77 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 360' ' ' PHE . . . . . 0.831 ' O ' ' HB1' ' A' ' 278' ' ' ALA . 0.1 OUTLIER -0.67 44.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 111.023 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 361' ' ' GLY . . . . . 1.161 ' N ' ' O ' ' A' ' 359' ' ' PRO . . . -141.48 -25.07 0.21 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 362' ' ' ASP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 354' ' ' LYS . 0.7 OUTLIER -154.21 48.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 363' ' ' PHE . . . . . 0.99 ' CG ' HD11 ' A' ' 452' ' ' LEU . 5.2 m-85 -129.09 20.73 5.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 364' ' ' MET . . . . . 0.694 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 0.0 OUTLIER -94.2 1.47 56.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 365' ' ' GLU . . . . . 0.86 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 0.1 OUTLIER -61.96 -32.68 10.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.99 -25.08 12.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 367' ' ' LYS . . . . . 0.813 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 2.4 mptt -70.4 -59.28 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 368' ' ' PHE . . . . . 0.812 ' CZ ' HD11 ' A' ' 353' ' ' LEU . 2.4 m-30 -59.63 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -55.27 -45.3 76.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 370' ' ' PHE . . . . . 0.923 ' CZ ' ' HB2' ' A' ' 331' ' ' ALA . 0.1 OUTLIER -50.89 -48.72 60.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 371' ' ' ALA . . . . . 1.036 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -60.1 -47.43 85.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 24.6 t -61.3 -13.26 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.83 -24.44 12.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 374' ' ' PHE . . . . . 0.513 ' HB2' ' CE1' ' A' ' 370' ' ' PHE . 54.9 t80 -90.44 -40.31 12.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 375' ' ' ASN . . . . . 0.542 ' ND2' ' OE1' ' A' ' 378' ' ' GLU . 1.5 m-80 -55.18 -11.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -89.39 31.06 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 379' ' ' LEU . 1.2 pp -168.79 3.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 378' ' ' GLU . . . . . 0.926 ' C ' HD22 ' A' ' 379' ' ' LEU . 87.6 mt-10 -64.69 162.4 15.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.926 HD22 ' C ' ' A' ' 378' ' ' GLU . 3.7 mm? -134.26 -106.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 380' ' ' ASP . . . . . 0.671 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 0.6 OUTLIER -130.26 147.24 51.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 381' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 385' ' ' ALA . 93.6 m-20 -40.65 -29.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 382' ' ' SER . . . . . 1.069 ' HA ' ' CE1' ' A' ' 219' ' ' TYR . 0.1 OUTLIER -51.97 -66.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 383' ' ' ASP . . . . . 0.496 ' OD2' ' CB ' ' A' ' 379' ' ' LEU . 2.5 m-20 -59.74 -28.42 67.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 3.9 mt -74.39 -76.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 385' ' ' ALA . . . . . 1.036 ' HB3' ' CE1' ' A' ' 219' ' ' TYR . . . -32.13 -62.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 390' ' ' VAL . 3.5 mt -40.3 -68.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 387' ' ' PHE . . . . . 0.577 ' N ' HG22 ' A' ' 386' ' ' ILE . 0.2 OUTLIER -33.57 -50.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 388' ' ' ILE . . . . . 0.928 HG12 HG23 ' A' ' 325' ' ' ILE . 0.0 OUTLIER -47.57 -58.46 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 389' ' ' ALA . . . . . 0.58 ' N ' HG22 ' A' ' 388' ' ' ILE . . . -58.62 -28.71 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.988 HG22 ' HB2' ' A' ' 413' ' ' LEU . 4.0 t -78.82 -25.29 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.923 HD13 ' O ' ' A' ' 324' ' ' GLU . 17.5 mt -77.09 -25.15 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 392' ' ' ILE . . . . . 0.975 HD11 HD11 ' A' ' 318' ' ' LEU . 0.8 OUTLIER -83.11 -49.5 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 1.015 HD11 HD11 ' A' ' 309' ' ' LEU . 0.1 OUTLIER -69.22 15.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 394' ' ' SER . . . . . 0.613 ' H ' ' C ' ' A' ' 392' ' ' ILE . 63.6 m -92.39 111.28 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 395' ' ' GLY . . . . . 0.762 ' HA3' HG22 ' A' ' 403' ' ' VAL . . . -82.21 68.31 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 396' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -106.77 -21.57 12.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 397' ' ' ARG . . . . . 0.535 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -66.48 125.66 90.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 6.56 3.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 399' ' ' GLY . . . . . 0.893 ' C ' HG21 ' A' ' 316' ' ' THR . . . -125.81 34.93 3.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.737 HD22 HD23 ' A' ' 317' ' ' LEU . 27.7 mt -92.33 168.86 11.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.846 HD11 ' HB2' ' A' ' 312' ' ' ASN . 25.8 mt -108.4 -64.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 402' ' ' ASN . . . . . 1.282 ' O ' HD13 ' A' ' 406' ' ' ILE . 4.5 m-20 -109.24 93.8 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 403' ' ' VAL . . . . . 0.762 HG22 ' HA3' ' A' ' 395' ' ' GLY . 1.0 OUTLIER -85.59 -5.81 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.54 ' N ' ' CD ' ' A' ' 405' ' ' PRO . 0.0 OUTLIER -81.87 -50.16 0.88 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 405' ' ' PRO . . . . . 0.75 ' CG ' ' HB3' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.0 -19.71 17.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 406' ' ' ILE . . . . . 1.282 HD13 ' O ' ' A' ' 402' ' ' ASN . 0.5 OUTLIER -81.14 -46.84 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -74.49 -18.48 60.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 408' ' ' ASP . . . . . 0.484 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 86.9 m-20 -81.75 -51.05 8.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 409' ' ' ILE . . . . . 0.63 HG22 ' HG ' ' A' ' 393' ' ' LEU . 19.7 mm -61.21 -23.3 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 410' ' ' GLN . . . . . 0.78 ' CB ' ' HB3' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -82.65 -37.53 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.348 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.14 -23.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.8 OUTLIER -87.66 -56.36 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.988 ' HB2' HG22 ' A' ' 390' ' ' VAL . 1.1 mt -49.68 -40.78 41.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.767 HD12 HG11 ' A' ' 390' ' ' VAL . 7.2 tp -62.19 -53.48 54.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 39.8 mt-30 -46.0 -47.73 16.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.865 ' CB ' HD11 ' A' ' 211' ' ' LEU . . . -54.89 -54.82 37.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 1.007 HD22 ' C ' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -41.14 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 418' ' ' GLU . . . . . 0.919 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.2 OUTLIER -52.14 -28.52 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.82 HD13 ' HG ' ' A' ' 211' ' ' LEU . 3.5 tt -69.16 -77.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 420' ' ' GLN . . . . . 0.73 ' N ' HD23 ' A' ' 419' ' ' LEU . 0.0 OUTLIER -53.73 -8.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 431' ' ' LEU . 0.6 OUTLIER -89.52 -46.45 8.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 422' ' ' LYS . . . . . 0.754 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 1.5 mmtt -79.39 6.03 11.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.601 HD11 ' HG ' ' A' ' 419' ' ' LEU . 10.5 mt -119.08 -39.37 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.663 ' OD1' ' CD2' ' A' ' 425' ' ' HIS . 45.0 p-10 -82.6 -13.09 57.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.663 ' CD2' ' OD1' ' A' ' 424' ' ' ASN . 13.9 p80 177.33 71.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.754 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.1 Cg_endo -75.02 140.96 26.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -129.36 13.97 6.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.88 67.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 13.9 t -166.71 -142.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' GLN . . . . . 0.706 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -113.64 30.08 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 431' ' ' LEU . . . . . 0.656 ' HB3' HD21 ' A' ' 421' ' ' LEU . 20.1 tp -37.41 -31.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 432' ' ' PHE . . . . . 0.857 ' CD1' HD11 ' A' ' 417' ' ' LEU . 0.2 OUTLIER -85.99 -50.3 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 433' ' ' ALA . . . . . 0.706 ' HB3' ' HB2' ' A' ' 430' ' ' GLN . . . -48.19 -21.84 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.545 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.5 OUTLIER -96.91 -48.15 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 435' ' ' LEU . . . . . 0.605 HD12 ' CD1' ' A' ' 421' ' ' LEU . 0.5 OUTLIER -39.8 -37.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.799 HD23 ' CE1' ' A' ' 432' ' ' PHE . 2.6 pp -77.75 -45.38 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' GLN . . . . . 0.675 ' O ' HG23 ' A' ' 440' ' ' THR . 1.0 OUTLIER -48.18 -12.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 440' ' ' THR . 0.1 OUTLIER -52.89 -22.46 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 439' ' ' MET . . . . . 0.648 ' HA ' ' HB2' ' A' ' 442' ' ' LEU . 0.0 OUTLIER -31.1 -33.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 437' ' ' GLN . 71.8 p -35.03 -100.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.747 ' O ' ' CD1' ' A' ' 445' ' ' ILE . 0.0 OUTLIER -52.02 -22.83 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.982 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 0.1 OUTLIER -64.63 -86.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 443' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 439' ' ' MET . 2.6 ttt180 -53.48 -9.7 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.771 ' O ' HG22 ' A' ' 447' ' ' THR . 5.0 mm-40 -70.98 -88.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.747 ' CD1' ' O ' ' A' ' 441' ' ' ASP . 0.0 OUTLIER -36.99 -46.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 447' ' ' THR . 2.5 t -48.17 -69.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' THR . . . . . 0.771 HG22 ' O ' ' A' ' 444' ' ' GLN . 14.5 t -51.2 -19.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -53.56 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' HIS . . . . . 0.69 ' CE1' HG23 ' A' ' 450' ' ' VAL . 0.0 OUTLIER -44.01 -33.95 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.603 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 450' ' ' VAL . . . . . 0.69 HG23 ' CE1' ' A' ' 449' ' ' HIS . 39.6 t -83.57 -51.22 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 451' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -23.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.99 HD11 ' CG ' ' A' ' 363' ' ' PHE . 11.0 mt -85.4 -72.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.525 ' HA ' HG22 ' A' ' 456' ' ' ILE . 0.2 OUTLIER -57.8 -16.75 12.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 454' ' ' GLN . . . . . 0.615 ' N ' ' O ' ' A' ' 450' ' ' VAL . 11.6 tt0 -80.07 -56.55 4.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 455' ' ' VAL . 48.3 t -70.6 -0.21 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.827 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -107.22 -60.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.623 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 3.1 pttt -45.41 -24.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 1.1 mmmm -99.51 -39.36 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.19 47.19 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.827 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.2 mm-40 -42.68 132.25 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.524 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -37.07 -30.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.369 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 462' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 461' ' ' THR . 2.1 t70 168.2 59.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' MET . . . . . 0.448 ' O ' ' CB ' ' A' ' 464' ' ' SER . 7.2 ttt 61.35 131.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 463' ' ' MET . 0.5 OUTLIER 163.76 83.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.76 HD23 ' C ' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -166.23 167.13 16.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 466' ' ' HIS . . . . . 0.976 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 32.2 p80 -116.81 -176.0 0.35 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 467' ' ' PRO . . . . . 0.976 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.91 -53.42 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.43 ' O ' ' CG1' ' A' ' 472' ' ' ILE . 10.3 mt -56.42 -8.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.615 ' HG ' HD12 ' A' ' 465' ' ' LEU . 2.0 tp -87.73 -56.04 3.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.26 -29.83 67.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 471' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 467' ' ' PRO . 39.7 mt-10 -72.79 -69.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 472' ' ' ILE . . . . . 0.798 HD12 ' N ' ' A' ' 473' ' ' TYR . 2.6 pp -37.92 -57.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 473' ' ' TYR . . . . . 0.798 ' N ' HD12 ' A' ' 472' ' ' ILE . 0.0 OUTLIER -48.31 -51.41 26.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.97 142.11 3.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -63.9 -67.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' A' ' 210' ' ' ASP . 4.7 tt0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 208' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 211' ' ' LEU . 8.2 m -62.42 -62.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.961 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 208' ' ' SER . . . -33.45 -39.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 210' ' ' ASP . . . . . 0.61 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 0.0 OUTLIER -86.99 -45.25 10.94 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.971 HD21 ' HB3' ' A' ' 415' ' ' GLN . 0.1 OUTLIER -40.14 -54.37 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 212' ' ' ARG . . . . . 0.468 ' NH1' ' HB2' ' A' ' 420' ' ' GLN . 3.0 tpm_? -73.8 -27.15 60.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.61 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -67.54 -57.06 7.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 214' ' ' LEU . . . . . 0.494 ' O ' ' HB3' ' A' ' 217' ' ' HIS . 0.5 OUTLIER -46.43 -45.87 18.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -46.61 -61.68 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 216' ' ' LYS . . . . . 0.564 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -45.43 -32.1 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 217' ' ' HIS . . . . . 0.592 ' HA ' ' HB2' ' A' ' 220' ' ' ASP . 57.0 t60 -71.69 -67.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.633 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 1.004 HD12 HG23 ' A' ' 386' ' ' ILE . 2.9 mt -38.46 -57.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 219' ' ' TYR . . . . . 0.631 ' CD2' ' CB ' ' A' ' 385' ' ' ALA . 4.7 t80 -67.88 -27.59 66.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 220' ' ' ASP . . . . . 0.86 ' O ' HG22 ' A' ' 223' ' ' ILE . 0.4 OUTLIER -60.09 -74.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 221' ' ' SER . . . . . 0.588 ' CB ' ' HB3' ' A' ' 302' ' ' SER . 13.3 t -54.89 -25.36 28.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 222' ' ' TYR . . . . . 0.87 ' CD1' ' CD2' ' A' ' 299' ' ' TYR . 0.7 OUTLIER -78.1 -47.02 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 1.162 ' O ' HD13 ' A' ' 223' ' ' ILE . 0.0 OUTLIER -56.87 -12.48 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 224' ' ' LYS . . . . . 0.619 ' HD2' HG23 ' A' ' 223' ' ' ILE . 2.8 mptp? -95.9 -42.12 8.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 225' ' ' SER . . . . . 0.598 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 34.4 t -58.0 -80.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 226' ' ' PHE . . . . . 0.844 ' CE1' ' CE1' ' A' ' 222' ' ' TYR . 0.7 OUTLIER -112.46 110.54 52.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -30.09 7.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 340' ' ' LEU . 0.0 OUTLIER -63.69 114.35 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 229' ' ' THR . . . . . 0.549 HG22 ' CZ ' ' A' ' 226' ' ' PHE . 34.0 p -133.34 -165.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 230' ' ' LYS . . . . . 0.767 ' HD3' ' CD1' ' A' ' 384' ' ' LEU . 3.4 mtmm -77.43 -24.45 50.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 231' ' ' ALA . . . . . 0.536 ' HB3' ' OD2' ' A' ' 381' ' ' ASP . . . -78.78 -41.43 30.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 232' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 235' ' ' ALA . 0.8 OUTLIER -72.05 -42.33 66.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 233' ' ' ALA . . . . . 1.081 ' HB1' HD23 ' A' ' 340' ' ' LEU . . . -64.69 -47.81 77.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.879 ' NH1' HD22 ' A' ' 237' ' ' LEU . 0.0 OUTLIER -73.13 -2.7 22.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 235' ' ' ALA . . . . . 0.929 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -81.25 -69.66 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.433 HG13 ' HB3' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -59.3 -38.09 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 237' ' ' LEU . . . . . 0.879 HD22 ' NH1' ' A' ' 234' ' ' ARG . 0.1 OUTLIER -57.22 -36.25 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 238' ' ' THR . . . . . 0.85 ' O ' ' N ' ' A' ' 240' ' ' LYS . 1.1 t -152.03 -39.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 239' ' ' GLY . . . . . 0.929 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -10.58 -48.75 0.0 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 240' ' ' LYS . . . . . 0.85 ' N ' ' O ' ' A' ' 238' ' ' THR . 0.0 OUTLIER 150.24 -87.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 241' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 240' ' ' LYS . 10.0 t 48.52 46.23 20.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.605 ' O ' HG23 ' A' ' 242' ' ' THR . 0.4 OUTLIER 62.25 14.5 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 243' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 240' ' ' LYS . 0.3 OUTLIER 59.46 101.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 244' ' ' LYS . . . . . 0.601 ' HG3' HG23 ' A' ' 241' ' ' THR . 0.0 OUTLIER -161.29 -81.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 245' ' ' SER . . . . . 0.6 ' CB ' ' O ' ' A' ' 244' ' ' LYS . 1.5 m 150.59 154.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 246' ' ' PRO . . . . . 0.683 ' C ' ' HA2' ' A' ' 346' ' ' GLY . 18.2 Cg_endo -74.99 113.88 3.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 247' ' ' PHE . . . . . 0.742 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -1.06 71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 0.964 HG23 ' CZ ' ' A' ' 347' ' ' PHE . 8.8 p -55.35 144.25 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 249' ' ' ILE . . . . . 0.7 ' O ' HG23 ' A' ' 349' ' ' THR . 0.1 OUTLIER -127.98 152.18 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 250' ' ' TYR . . . . . 0.602 ' HA ' ' CD2' ' A' ' 352' ' ' PHE . 0.4 OUTLIER 162.69 -26.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.21 141.32 28.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 252' ' ' MET . . . . . 0.434 ' HA ' HD22 ' A' ' 255' ' ' LEU . 2.2 mmm -41.59 -45.55 3.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -65.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 254' ' ' SER . . . . . . . . . . . . . 77.6 p -52.09 -57.6 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 255' ' ' LEU . . . . . 0.764 HD23 ' N ' ' A' ' 256' ' ' MET . 0.0 OUTLIER -44.33 -58.4 2.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 256' ' ' MET . . . . . 0.764 ' N ' HD23 ' A' ' 255' ' ' LEU . 0.0 OUTLIER -51.37 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 257' ' ' MET . . . . . 0.527 ' O ' ' HB2' ' A' ' 261' ' ' LYS . 38.0 mtp -36.7 -27.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 258' ' ' GLY . . . . . 0.643 ' O ' HG22 ' A' ' 262' ' ' ILE . . . -88.58 -92.48 1.08 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.529 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 1.6 tt0 -44.99 -23.07 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 260' ' ' ASP . . . . . 0.602 ' CB ' ' O ' ' A' ' 256' ' ' MET . 4.3 t0 -94.58 -63.17 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 261' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 257' ' ' MET . 0.3 OUTLIER -96.25 54.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 258' ' ' GLY . 0.1 OUTLIER -175.52 -34.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 264' ' ' PHE . 0.0 OUTLIER -147.26 24.27 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 264' ' ' PHE . . . . . 0.529 ' CB ' ' O ' ' A' ' 260' ' ' ASP . 0.0 OUTLIER -31.51 130.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.48 ' O ' ' CE1' ' A' ' 264' ' ' PHE . 0.0 OUTLIER -47.48 171.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.4 169.16 10.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.624 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 14.1 mt -55.47 116.2 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 268' ' ' THR . . . . . 1.01 HG22 ' HG ' ' A' ' 270' ' ' LEU . 0.5 OUTLIER -152.28 174.57 3.53 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 269' ' ' PRO . . . . . 0.817 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.4 Cg_endo -74.93 53.21 3.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 1.01 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.0 OUTLIER -86.27 -176.41 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 271' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 273' ' ' GLN . 0.5 OUTLIER 162.52 167.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 110.264 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 272' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 273' ' ' GLN . 3.4 pt-20 -65.67 64.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 273' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 271' ' ' GLN . 0.0 OUTLIER -179.56 38.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.04 81.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.411 ' HA ' HG21 ' A' ' 279' ' ' ILE . 0.0 OUTLIER -161.95 44.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 276' ' ' GLU . . . . . 0.865 ' OE1' ' HB3' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -75.17 151.21 38.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 277' ' ' VAL . . . . . 0.697 HG12 ' CD2' ' A' ' 356' ' ' LEU . 61.4 t -39.1 -42.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 278' ' ' ALA . . . . . 0.865 ' HB3' ' OE1' ' A' ' 276' ' ' GLU . . . -60.69 -81.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 0.654 HD11 ' HA ' ' A' ' 465' ' ' LEU . 0.4 OUTLIER -23.55 -39.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 280' ' ' ARG . . . . . 0.727 ' N ' ' O ' ' A' ' 278' ' ' ALA . 7.8 mtp180 -77.53 -64.9 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 281' ' ' ILE . . . . . 1.014 HD11 ' CE2' ' A' ' 352' ' ' PHE . 0.2 OUTLIER -62.5 -43.31 98.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 282' ' ' PHE . . . . . 0.816 ' CD1' ' CE1' ' A' ' 360' ' ' PHE . 0.1 OUTLIER -49.91 -51.32 41.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 283' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 0.0 OUTLIER -58.03 -34.43 70.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 284' ' ' GLY . . . . . 0.505 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -85.49 -53.99 2.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 285' ' ' CYS . . . . . 0.634 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.7 OUTLIER -47.9 -18.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 286' ' ' GLN . . . . . 0.505 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -110.13 -27.7 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 287' ' ' PHE . . . . . 0.661 ' CE1' ' CG ' ' A' ' 291' ' ' GLU . 11.9 t80 -51.01 -31.36 17.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -22.61 64.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 12.0 t -89.3 -56.14 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 290' ' ' VAL . . . . . 0.59 HG22 ' HA ' ' A' ' 287' ' ' PHE . 2.8 m -54.05 -20.17 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 291' ' ' GLU . . . . . 0.661 ' CG ' ' CE1' ' A' ' 287' ' ' PHE . 29.4 mt-10 -83.05 -61.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 292' ' ' ALA . . . . . 0.904 ' O ' HD12 ' A' ' 296' ' ' ILE . . . -33.62 -58.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 293' ' ' VAL . . . . . 0.48 HG13 ' HG2' ' A' ' 294' ' ' GLN . 2.5 p -41.93 -45.29 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.598 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.0 mt-30 -71.5 -27.57 63.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 295' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.6 mt-10 -77.7 -56.97 4.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 296' ' ' ILE . . . . . 0.904 HD12 ' O ' ' A' ' 292' ' ' ALA . 3.6 mp -41.83 -67.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 297' ' ' THR . . . . . 0.449 ' C ' ' N ' ' A' ' 299' ' ' TYR . 0.9 OUTLIER -40.22 -63.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.39 -25.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 299' ' ' TYR . . . . . 0.87 ' CD2' ' CD1' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -103.41 -55.53 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.958 ' HB1' ' CD2' ' A' ' 306' ' ' PHE . . . -35.01 -49.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 301' ' ' LYS . . . . . 0.585 ' HA ' HG22 ' A' ' 307' ' ' VAL . 58.5 mttt -35.41 -8.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 302' ' ' SER . . . . . 0.955 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -68.36 -50.85 50.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 303' ' ' ILE . . . . . 0.853 HG21 HD21 ' A' ' 413' ' ' LEU . 0.0 OUTLIER -58.3 127.69 81.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 16.99 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 305' ' ' GLY . . . . . 0.602 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -132.3 -24.71 0.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.958 ' CD2' ' HB1' ' A' ' 300' ' ' ALA . 12.0 t80 -58.42 -60.77 3.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 0.755 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 307' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -69.08 -20.37 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -74.03 -13.46 60.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.775 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.6 mt -68.59 -111.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 310' ' ' ASP . . . . . 0.67 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -139.71 151.84 46.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 311' ' ' LEU . . . . . 0.502 HD23 ' H ' ' A' ' 311' ' ' LEU . 0.1 OUTLIER -53.61 -46.19 70.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 312' ' ' ASN . . . . . 0.863 ' O ' ' N ' ' A' ' 316' ' ' THR . 5.6 m120 -82.35 -59.66 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 313' ' ' ASP . . . . . 1.047 ' OD1' HD11 ' A' ' 406' ' ' ILE . 44.5 t0 -31.92 -52.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 314' ' ' GLN . . . . . 0.684 ' HA ' HD21 ' A' ' 317' ' ' LEU . 5.1 mt-30 -59.78 -53.45 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 315' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 312' ' ' ASN . 91.2 t -71.95 -33.59 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 316' ' ' THR . . . . . 1.112 HG22 ' O ' ' A' ' 399' ' ' GLY . 19.2 m -65.03 -54.56 28.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 317' ' ' LEU . . . . . 0.743 ' HB3' HD22 ' A' ' 400' ' ' LEU . 4.2 pp -52.8 -47.74 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 318' ' ' LEU . . . . . 0.778 HD23 ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -63.98 -43.07 96.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.426 ' NZ ' ' O ' ' A' ' 474' ' ' LYS . 0.5 OUTLIER -51.36 -28.17 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.346 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 320' ' ' TYR . . . . . 0.416 ' O ' ' OD2' ' A' ' 396' ' ' ASP . 2.1 m-85 -122.08 3.5 9.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 321' ' ' GLY . . . . . 0.699 ' O ' HD12 ' A' ' 325' ' ' ILE . . . -115.17 -48.53 0.52 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 322' ' ' VAL . . . . . 1.032 HG22 ' CD1' ' A' ' 326' ' ' ILE . 4.7 p -35.43 -31.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 323' ' ' HIS . . . . . 0.998 ' ND1' HG21 ' A' ' 446' ' ' VAL . 0.0 OUTLIER -63.13 -57.41 10.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.563 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 324' ' ' GLU . . . . . 0.657 ' CG ' ' CE1' ' A' ' 323' ' ' HIS . 80.0 mt-10 -64.16 2.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 325' ' ' ILE . . . . . 0.776 HD13 ' CD1' ' A' ' 392' ' ' ILE . 2.3 mp -110.51 -47.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 326' ' ' ILE . . . . . 1.032 ' CD1' HG22 ' A' ' 322' ' ' VAL . 4.9 mt -74.67 -40.37 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 1.083 ' CD2' HG22 ' A' ' 446' ' ' VAL . 9.5 m-85 -76.02 -15.53 60.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 328' ' ' THR . . . . . 0.904 ' HA ' HD21 ' A' ' 442' ' ' LEU . 0.7 OUTLIER -72.2 -56.8 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.453 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.579 ' N ' ' CG2' ' A' ' 328' ' ' THR . 7.8 ptp -89.47 -12.76 39.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.629 ' CB ' ' O ' ' A' ' 326' ' ' ILE . 1.6 mt -49.4 -53.66 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 331' ' ' ALA . . . . . 0.858 ' HB1' ' HA ' ' A' ' 371' ' ' ALA . . . -34.64 -52.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 332' ' ' SER . . . . . 0.65 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 6.0 m -59.75 -45.65 91.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.917 HD13 ' HB2' ' A' ' 233' ' ' ALA . 3.7 mm? -58.72 -13.94 7.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 334' ' ' MET . . . . . 0.728 ' CE ' ' HB3' ' A' ' 367' ' ' LYS . 2.0 mmt -76.58 173.0 12.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 335' ' ' ASN . . . . . 0.761 ' HA ' HD21 ' A' ' 237' ' ' LEU . 0.1 OUTLIER -141.46 9.55 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 336' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER 80.41 -41.32 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 337' ' ' ASP . . . . . 0.453 ' C ' ' H ' ' A' ' 350' ' ' ARG . 0.1 OUTLIER -125.24 10.34 8.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 338' ' ' GLY . . . . . 0.713 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -171.21 173.41 44.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 339' ' ' VAL . . . . . 0.641 ' O ' ' HB2' ' A' ' 347' ' ' PHE . 3.8 p -136.44 151.54 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 1.081 HD23 ' HB1' ' A' ' 233' ' ' ALA . 0.4 OUTLIER -69.43 124.33 23.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 341' ' ' ILE . . . . . 0.695 HG23 ' HA ' ' A' ' 347' ' ' PHE . 1.3 pt -128.15 108.97 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 342' ' ' SER . . . . . 0.603 ' CB ' ' O ' ' A' ' 341' ' ' ILE . 5.6 m 93.59 132.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.057 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 345' ' ' GLN . 12.0 mp0 -27.02 93.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 344' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 342' ' ' SER . . . 34.22 30.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 345' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 343' ' ' GLU . 0.0 OUTLIER -82.64 -70.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 110.316 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 346' ' ' GLY . . . . . 0.742 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . -130.01 -150.2 6.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 0.964 ' CZ ' HG23 ' A' ' 248' ' ' VAL . 0.1 OUTLIER -177.68 138.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.668 ' HE2' HG21 ' A' ' 249' ' ' ILE . 11.4 ttm -93.42 121.88 35.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 349' ' ' THR . . . . . 0.788 HG22 ' CE1' ' A' ' 347' ' ' PHE . 1.6 p -71.32 153.65 42.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.407 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 350' ' ' ARG . . . . . 0.88 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 7.8 ttm180 -63.83 -55.84 19.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 351' ' ' GLU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 0.0 OUTLIER -35.84 -25.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 352' ' ' PHE . . . . . 1.014 ' CE2' HD11 ' A' ' 281' ' ' ILE . 1.8 t80 -89.63 -51.47 5.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 353' ' ' LEU . . . . . 0.889 ' O ' ' O ' ' A' ' 361' ' ' GLY . 0.2 OUTLIER -67.19 -21.87 65.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 354' ' ' LYS . . . . . 0.856 ' HA ' ' O ' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -91.84 -33.62 14.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 355' ' ' SER . . . . . 1.045 ' O ' HD23 ' A' ' 356' ' ' LEU . 9.2 t -70.42 73.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 356' ' ' LEU . . . . . 1.045 HD23 ' O ' ' A' ' 355' ' ' SER . 0.2 OUTLIER -152.3 -152.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 357' ' ' ARG . . . . . 0.656 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -69.32 153.52 43.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 358' ' ' LYS . . . . . 0.808 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.81 -55.45 1.23 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.808 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.4 Cg_endo -74.97 -84.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 360' ' ' PHE . . . . . 0.816 ' CE1' ' CD1' ' A' ' 282' ' ' PHE . 0.5 OUTLIER -63.55 32.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 361' ' ' GLY . . . . . 1.003 ' HA2' ' HB2' ' A' ' 356' ' ' LEU . . . -87.39 -43.34 5.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 362' ' ' ASP . . . . . 0.61 ' CA ' ' HA ' ' A' ' 354' ' ' LYS . 7.1 p-10 -148.96 96.88 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 363' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -103.25 0.06 31.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 110.983 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 364' ' ' MET . . . . . 0.537 ' HG2' ' CE1' ' A' ' 363' ' ' PHE . 0.2 OUTLIER -121.24 -5.8 9.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 365' ' ' GLU . . . . . 0.88 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 2.4 tp10 -65.12 -41.23 51.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -75.02 -24.96 12.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 367' ' ' LYS . . . . . 0.728 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 0.0 OUTLIER -76.5 -33.91 58.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 368' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 339' ' ' VAL . 6.7 m-30 -68.71 -53.94 19.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.23 -46.99 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 370' ' ' PHE . . . . . 0.838 ' CG ' HD11 ' A' ' 445' ' ' ILE . 2.1 m-85 -61.02 -38.23 85.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 371' ' ' ALA . . . . . 0.858 ' HA ' ' HB1' ' A' ' 331' ' ' ALA . . . -59.6 -46.19 89.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 372' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 336' ' ' LYS . 30.7 t -67.39 -9.07 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 373' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -104.14 -27.8 11.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 374' ' ' PHE . . . . . 0.635 ' CZ ' ' CG ' ' A' ' 441' ' ' ASP . 0.1 OUTLIER -92.17 -35.6 13.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 375' ' ' ASN . . . . . 0.4 ' C ' ' H ' ' A' ' 377' ' ' LEU . 1.0 OUTLIER -49.7 -15.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.487 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -84.98 31.19 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 0.8 OUTLIER -174.69 4.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 378' ' ' GLU . . . . . 0.502 ' HB3' ' HE3' ' A' ' 230' ' ' LYS . 1.8 mt-10 -78.37 134.49 37.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 1.061 HD11 ' CD1' ' A' ' 435' ' ' LEU . 0.3 OUTLIER -84.69 -148.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 380' ' ' ASP . . . . . 0.471 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 54.3 p30 -110.14 148.07 32.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 381' ' ' ASP . . . . . 0.536 ' OD2' ' HB3' ' A' ' 231' ' ' ALA . 0.5 OUTLIER -41.91 -26.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 382' ' ' SER . . . . . 0.482 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 0.1 OUTLIER -60.39 -55.87 28.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 383' ' ' ASP . . . . . 0.497 ' OD1' ' ND2' ' A' ' 424' ' ' ASN . 3.1 m-20 -71.91 -17.64 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.767 ' CD1' ' HD3' ' A' ' 230' ' ' LYS . 6.5 mt -84.88 -49.72 8.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 385' ' ' ALA . . . . . 0.634 ' HA ' ' CE2' ' A' ' 222' ' ' TYR . . . -36.97 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 1.004 HG23 HD12 ' A' ' 218' ' ' LEU . 1.8 mt -92.88 -39.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 387' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 384' ' ' LEU . 26.4 t80 -41.55 -42.33 2.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 388' ' ' ILE . . . . . 0.813 HD11 HG12 ' A' ' 296' ' ' ILE . 12.7 tt -44.11 -61.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 389' ' ' ALA . . . . . 0.895 ' CB ' HD13 ' A' ' 413' ' ' LEU . . . -60.47 -28.23 68.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.582 ' HA ' ' CD ' ' A' ' 410' ' ' GLN . 76.4 t -69.7 -14.94 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.626 HG22 ' CD1' ' A' ' 325' ' ' ILE . 2.0 mm -119.87 5.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 392' ' ' ILE . . . . . 0.776 ' CD1' HD13 ' A' ' 325' ' ' ILE . 0.0 OUTLIER -116.43 -62.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.874 ' CB ' ' HG3' ' A' ' 410' ' ' GLN . 0.7 OUTLIER -65.24 24.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 394' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 392' ' ' ILE . 1.3 m -121.91 144.92 48.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 395' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 396' ' ' ASP . . . -64.63 63.47 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 396' ' ' ASP . . . . . 0.625 ' C ' ' HE ' ' A' ' 397' ' ' ARG . 1.0 OUTLIER -36.0 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 397' ' ' ARG . . . . . 0.806 ' CB ' ' CD ' ' A' ' 398' ' ' PRO . 0.0 OUTLIER -149.36 -165.16 0.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 398' ' ' PRO . . . . . 0.806 ' CD ' ' CB ' ' A' ' 397' ' ' ARG . 18.2 Cg_endo -75.01 40.29 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 399' ' ' GLY . . . . . 1.112 ' O ' HG22 ' A' ' 316' ' ' THR . . . -127.18 55.02 0.76 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.783 ' O ' HD23 ' A' ' 401' ' ' LEU . 0.2 OUTLIER -148.74 -177.4 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.783 HD23 ' O ' ' A' ' 400' ' ' LEU . 14.6 mt -125.01 -58.14 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 402' ' ' ASN . . . . . 0.745 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 4.5 m-20 -106.66 84.39 2.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 403' ' ' VAL . . . . . 0.818 ' HA ' HD12 ' A' ' 406' ' ' ILE . 1.2 t -76.13 -16.75 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.708 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.5 OUTLIER -67.78 -52.75 24.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 405' ' ' PRO . . . . . 0.745 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -74.99 -17.83 19.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 406' ' ' ILE . . . . . 1.047 HD11 ' OD1' ' A' ' 313' ' ' ASP . 68.6 mt -69.04 -85.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 407' ' ' GLU . . . . . 0.485 ' N ' HG22 ' A' ' 406' ' ' ILE . 3.6 tt0 -49.08 -18.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 408' ' ' ASP . . . . . 0.708 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 16.3 m-20 -76.28 -62.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 409' ' ' ILE . . . . . 0.723 HG22 ' HG ' ' A' ' 393' ' ' LEU . 20.1 mm -52.6 -27.95 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 410' ' ' GLN . . . . . 0.874 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -71.17 -42.12 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 411' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 410' ' ' GLN . 7.4 t70 -35.34 -33.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 412' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 410' ' ' GLN . 1.6 t30 -87.29 -50.17 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.895 HD13 ' CB ' ' A' ' 389' ' ' ALA . 1.2 mt -55.92 -40.11 72.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.897 HD23 HD12 ' A' ' 417' ' ' LEU . 0.7 OUTLIER -60.66 -47.27 86.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.971 ' HB3' HD21 ' A' ' 211' ' ' LEU . 41.1 mt-30 -52.36 -66.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.547 ' HA ' ' CD1' ' A' ' 211' ' ' LEU . . . -44.85 -45.43 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 1.005 HD22 ' C ' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -49.0 -80.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 418' ' ' GLU . . . . . 0.903 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.2 OUTLIER -54.75 -25.33 27.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.936 HD13 ' HG ' ' A' ' 211' ' ' LEU . 0.6 OUTLIER -67.93 -77.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 420' ' ' GLN . . . . . 0.6 HE21 ' ND2' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -43.85 -28.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.979 HD11 HD11 ' A' ' 431' ' ' LEU . 0.0 OUTLIER -83.02 -41.37 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 422' ' ' LYS . . . . . 0.66 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 6.1 ttmt -78.58 8.38 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.807 HD11 ' HG ' ' A' ' 419' ' ' LEU . 17.5 mt -120.04 -43.96 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.662 ' OD1' ' CD2' ' A' ' 425' ' ' HIS . 49.4 p-10 -78.64 -12.82 60.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.662 ' CD2' ' OD1' ' A' ' 424' ' ' ASN . 28.3 p80 174.93 74.63 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.605 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.66 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.99 162.82 36.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -141.15 -85.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 428' ' ' SER . . . . . 0.472 ' O ' ' CE ' ' A' ' 422' ' ' LYS . 0.1 OUTLIER -120.67 -157.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 429' ' ' SER . . . . . 0.46 ' C ' ' N ' ' A' ' 431' ' ' LEU . 0.6 OUTLIER -92.58 155.54 17.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 110.011 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 430' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 433' ' ' ALA . 0.0 OUTLIER 42.55 23.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.255 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 431' ' ' LEU . . . . . 0.979 HD11 HD11 ' A' ' 421' ' ' LEU . 0.0 OUTLIER -42.93 -27.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 432' ' ' PHE . . . . . 0.86 ' HB2' HD11 ' A' ' 417' ' ' LEU . 34.0 p90 -86.92 -38.95 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 433' ' ' ALA . . . . . 0.622 ' HA ' HD21 ' A' ' 436' ' ' LEU . . . -45.84 -27.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.522 ' CD ' ' N ' ' A' ' 435' ' ' LEU . 0.0 OUTLIER -99.45 -47.26 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 435' ' ' LEU . . . . . 1.061 ' CD1' HD11 ' A' ' 379' ' ' LEU . 0.3 OUTLIER -47.14 -33.95 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.622 HD21 ' HA ' ' A' ' 433' ' ' ALA . 4.2 pp -75.49 -45.76 36.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 437' ' ' GLN . . . . . 0.538 ' C ' ' HG3' ' A' ' 439' ' ' MET . 2.4 mt-30 -48.61 -11.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.569 ' O ' ' N ' ' A' ' 440' ' ' THR . 0.0 OUTLIER -49.39 -25.73 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 439' ' ' MET . . . . . 0.619 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -24.18 -44.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 438' ' ' LYS . 64.1 p -33.85 -78.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.382 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.757 ' O ' HG13 ' A' ' 445' ' ' ILE . 0.0 OUTLIER -57.75 -21.66 42.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.904 HD21 ' HA ' ' A' ' 328' ' ' THR . 0.2 OUTLIER -72.85 -73.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 443' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 439' ' ' MET . 0.1 OUTLIER -57.24 -10.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.757 ' O ' HG22 ' A' ' 447' ' ' THR . 2.3 mm100 -74.75 -71.04 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.838 HD11 ' CG ' ' A' ' 370' ' ' PHE . 0.1 OUTLIER -50.01 -29.88 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 1.083 HG22 ' CD2' ' A' ' 327' ' ' TYR . 26.3 t -67.86 -65.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 444' ' ' GLN . 9.0 t -47.74 -23.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -53.18 6.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' HIS . . . . . 0.751 ' O ' HD23 ' A' ' 453' ' ' LEU . 0.1 OUTLIER -48.63 -28.14 3.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 450' ' ' VAL . . . . . 0.691 ' O ' ' N ' ' A' ' 454' ' ' GLN . 34.1 t -86.53 -50.64 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 451' ' ' GLN . . . . . 0.573 ' O ' HG23 ' A' ' 455' ' ' VAL . 0.3 OUTLIER -42.99 -26.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.69 HD22 ' HA ' ' A' ' 359' ' ' PRO . 8.3 mt -87.69 -68.09 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.916 HD12 ' HE2' ' A' ' 457' ' ' LYS . 1.3 pp -59.9 -14.44 15.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' GLN . . . . . 0.691 ' N ' ' O ' ' A' ' 450' ' ' VAL . 2.0 tt0 -85.03 -48.87 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 451' ' ' GLN . 75.6 t -73.02 -6.0 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 1.015 ' O ' ' N ' ' A' ' 460' ' ' GLU . 1.4 tp -102.84 -61.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.916 ' HE2' HD12 ' A' ' 453' ' ' LEU . 0.1 OUTLIER -41.37 -37.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 8.8 mmmt -83.82 -41.52 17.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 459' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 459' ' ' THR . 2.2 m -124.18 43.36 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.38 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 1.015 ' N ' ' O ' ' A' ' 456' ' ' ILE . 8.6 mm-40 -41.78 131.29 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.443 ' H ' HD11 ' A' ' 456' ' ' ILE . 0.4 OUTLIER -39.96 -28.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 462' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 460' ' ' GLU . 2.0 t70 173.25 68.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 56.2 tpp 62.15 145.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 460' ' ' GLU . 46.3 t -158.5 151.7 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.902 HD23 HD13 ' A' ' 469' ' ' LEU . 0.2 OUTLIER 38.28 -117.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 466' ' ' HIS . . . . . 0.907 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 10.2 p80 -162.51 -175.58 0.5 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 467' ' ' PRO . . . . . 0.907 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.2 Cg_endo -75.01 -47.91 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.636 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 0.7 OUTLIER -44.07 -19.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.902 HD13 HD23 ' A' ' 465' ' ' LEU . 0.1 OUTLIER -87.59 -57.2 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -48.32 -27.79 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -75.36 -50.89 14.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 472' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 0.9 OUTLIER -48.18 -59.41 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 473' ' ' TYR . . . . . 0.534 ' CE2' ' HE3' ' A' ' 457' ' ' LYS . 1.9 t80 -55.14 -47.12 75.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 474' ' ' LYS . . . . . 0.426 ' O ' ' NZ ' ' A' ' 319' ' ' LYS . 1.8 mmtp -51.94 179.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -130.01 162.97 27.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 210' ' ' ASP . 6.5 tp10 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 208' ' ' SER . . . . . 0.587 ' O ' ' HB3' ' A' ' 211' ' ' LEU . 5.6 m -34.08 -52.99 0.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.713 ' O ' ' CB ' ' A' ' 213' ' ' ALA . . . -48.24 -44.83 33.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 210' ' ' ASP . . . . . 0.615 ' N ' ' O ' ' A' ' 207' ' ' GLU . 7.6 p30 -86.45 -19.74 29.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.85 ' CB ' HD21 ' A' ' 419' ' ' LEU . 0.1 OUTLIER -46.92 -77.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 212' ' ' ARG . . . . . 0.666 ' NH1' HD11 ' A' ' 211' ' ' LEU . 0.0 OUTLIER -75.03 -23.23 58.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.713 ' CB ' ' O ' ' A' ' 209' ' ' ALA . . . -74.07 -78.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 214' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 218' ' ' LEU . 15.9 tp -44.22 -47.48 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 215' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 211' ' ' LEU . . . -43.85 -71.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 216' ' ' LYS . . . . . 0.522 ' HE2' ' CA ' ' A' ' 216' ' ' LYS . 0.0 OUTLIER -37.51 -33.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 217' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 215' ' ' ALA . 28.9 t60 -85.05 -69.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.937 HD12 ' HA ' ' A' ' 386' ' ' ILE . 0.3 OUTLIER -38.71 -50.65 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 219' ' ' TYR . . . . . 1.02 ' CE2' ' HA ' ' A' ' 382' ' ' SER . 10.9 m-85 -68.3 -40.04 81.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 220' ' ' ASP . . . . . 0.515 ' O ' ' CD ' ' A' ' 224' ' ' LYS . 3.6 m-20 -56.66 -72.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 221' ' ' SER . . . . . 0.7 ' OG ' ' CD1' ' A' ' 299' ' ' TYR . 78.4 p -53.67 -24.53 14.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.093 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 222' ' ' TYR . . . . . 0.86 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 29.2 t80 -77.49 -52.06 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 219' ' ' TYR . 1.3 mp -48.66 -13.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 224' ' ' LYS . . . . . 0.522 ' N ' ' C ' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -97.24 -47.27 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 225' ' ' SER . . . . . 0.991 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 9.5 t -43.57 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 226' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.2 120.03 25.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 227' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.1 Cg_endo -75.02 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.647 HD11 ' HG ' ' A' ' 340' ' ' LEU . 0.1 OUTLIER -61.72 73.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 229' ' ' THR . . . . . 0.649 HG22 ' OH ' ' A' ' 222' ' ' TYR . 7.1 p -83.08 -164.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 230' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -72.12 -28.19 63.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 231' ' ' ALA . . . . . 0.572 ' HB3' ' OD2' ' A' ' 381' ' ' ASP . . . -77.29 -41.57 40.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 232' ' ' LYS . . . . . 0.501 ' O ' ' CD1' ' A' ' 236' ' ' ILE . 2.1 mttm -72.99 -39.59 65.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 233' ' ' ALA . . . . . 0.552 ' HB1' HD23 ' A' ' 340' ' ' LEU . . . -67.68 -46.89 71.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.758 HH12 HD22 ' A' ' 237' ' ' LEU . 0.0 OUTLIER -75.21 -1.58 23.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 235' ' ' ALA . . . . . 0.938 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -82.11 -65.22 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.651 ' O ' HG21 ' A' ' 241' ' ' THR . 0.0 OUTLIER -63.41 -42.99 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 237' ' ' LEU . . . . . 0.83 ' CD1' HD21 ' A' ' 340' ' ' LEU . 0.1 OUTLIER -47.89 -26.61 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 238' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.32 -28.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.425 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 239' ' ' GLY . . . . . 0.938 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -86.08 60.27 4.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 240' ' ' LYS . . . . . 0.699 ' CB ' ' O ' ' A' ' 239' ' ' GLY . 0.0 OUTLIER 143.33 -156.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 241' ' ' THR . . . . . 0.651 HG21 ' O ' ' A' ' 236' ' ' ILE . 1.7 t 49.64 31.09 3.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.566 ' O ' HG23 ' A' ' 242' ' ' THR . 0.4 OUTLIER 64.71 11.5 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 243' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 73.31 76.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 244' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 245' ' ' SER . 0.0 OUTLIER -154.28 -64.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 245' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 244' ' ' LYS . 0.9 OUTLIER 158.77 154.22 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 246' ' ' PRO . . . . . 0.704 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.4 Cg_endo -74.98 127.89 11.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 247' ' ' PHE . . . . . 0.726 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -7.6 73.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 0.957 HG23 ' CZ ' ' A' ' 347' ' ' PHE . 7.3 p -57.23 106.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 249' ' ' ILE . . . . . 0.59 HG21 HD11 ' A' ' 341' ' ' ILE . 0.7 OUTLIER -96.5 145.75 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 250' ' ' TYR . . . . . 0.597 ' HA ' ' CE2' ' A' ' 352' ' ' PHE . 0.1 OUTLIER 157.6 -20.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 251' ' ' ASP . . . . . 0.46 ' C ' ' HG ' ' A' ' 254' ' ' SER . 5.3 t70 -60.94 166.57 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 252' ' ' MET . . . . . 0.437 ' N ' ' CG ' ' A' ' 251' ' ' ASP . 16.7 ptt? -64.12 -47.16 81.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 252' ' ' MET . 0.2 OUTLIER -69.24 -43.6 73.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 254' ' ' SER . . . . . 0.46 ' HG ' ' C ' ' A' ' 251' ' ' ASP . 93.4 p -49.96 -68.76 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.938 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 255' ' ' LEU . . . . . 0.639 HD13 ' CE2' ' A' ' 352' ' ' PHE . 13.7 tp -48.31 -51.67 24.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 256' ' ' MET . . . . . 0.439 ' O ' ' HB2' ' A' ' 260' ' ' ASP . 13.8 mtp -44.3 -86.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 257' ' ' MET . . . . . 0.737 ' O ' ' N ' ' A' ' 262' ' ' ILE . 23.3 mtt -47.13 -20.15 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 258' ' ' GLY . . . . . 0.967 ' O ' ' N ' ' A' ' 261' ' ' LYS . . . -81.14 -100.23 0.36 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.569 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 58.1 tt0 -28.59 -42.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 260' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 258' ' ' GLY . 4.4 m-20 -70.48 -28.81 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 261' ' ' LYS . . . . . 0.967 ' N ' ' O ' ' A' ' 258' ' ' GLY . 21.4 mmmt 83.13 33.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.737 ' N ' ' O ' ' A' ' 257' ' ' MET . 1.5 mt 79.13 51.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 58.78 53.53 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 264' ' ' PHE . . . . . 0.45 ' HB3' ' HB2' ' A' ' 261' ' ' LYS . 16.9 t80 -109.04 -42.98 4.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 265' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.7 137.48 45.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.36 -172.16 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 268' ' ' THR . 48.6 mm 67.67 166.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 268' ' ' THR . . . . . 1.011 HG23 ' HD2' ' A' ' 269' ' ' PRO . 0.9 OUTLIER -137.65 154.71 75.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 269' ' ' PRO . . . . . 1.011 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.4 Cg_endo -75.0 46.42 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.953 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.1 OUTLIER -83.14 -94.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 271' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 270' ' ' LEU . 7.6 pt20 -37.58 132.44 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -93.94 54.8 2.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 273' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -142.43 -50.55 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 274' ' ' SER . . . . . 0.48 ' C ' ' HG3' ' A' ' 275' ' ' LYS . 0.7 OUTLIER -77.99 169.34 18.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.005 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.514 ' CD ' ' N ' ' A' ' 276' ' ' GLU . 0.1 OUTLIER 39.32 -161.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.37 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 276' ' ' GLU . . . . . 0.639 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 1.0 OUTLIER 168.11 146.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 277' ' ' VAL . . . . . 0.497 ' N ' ' HG3' ' A' ' 276' ' ' GLU . 4.1 t -42.08 -43.96 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 278' ' ' ALA . . . . . 0.671 ' O ' ' C ' ' A' ' 279' ' ' ILE . . . -70.06 -78.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 0.792 HD11 ' N ' ' A' ' 465' ' ' LEU . 2.7 mm -13.19 -60.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 280' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -62.51 -65.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 281' ' ' ILE . . . . . 0.568 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.2 OUTLIER -59.23 -56.54 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 282' ' ' PHE . . . . . 0.822 ' CD1' ' CD2' ' A' ' 360' ' ' PHE . 79.1 t80 -42.1 -46.05 4.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 283' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 0.7 OUTLIER -60.13 -37.64 80.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.259 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 284' ' ' GLY . . . . . 0.454 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -83.13 -55.34 2.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 285' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.5 OUTLIER -53.56 -15.84 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 286' ' ' GLN . . . . . 0.454 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.2 OUTLIER -108.93 -26.09 10.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 287' ' ' PHE . . . . . 0.682 ' O ' HG22 ' A' ' 290' ' ' VAL . 54.5 t80 -47.56 -48.01 28.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -22.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 289' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 287' ' ' PHE . 2.8 t -84.06 -55.31 4.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 290' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.7 m -49.76 -25.86 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 291' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' A' ' 294' ' ' GLN . 51.6 mt-10 -76.91 -60.41 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 292' ' ' ALA . . . . . 0.883 ' O ' HD12 ' A' ' 296' ' ' ILE . . . -34.59 -56.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 79.8 t -39.81 -44.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.6 -26.86 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.257 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 295' ' ' GLU . . . . . 0.635 ' N ' ' O ' ' A' ' 292' ' ' ALA . 7.5 mt-10 -76.56 -49.4 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 296' ' ' ILE . . . . . 0.883 HD12 ' O ' ' A' ' 292' ' ' ALA . 3.9 mp -50.04 -68.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.362 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 297' ' ' THR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -36.49 -63.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.406 ' N ' HG22 ' A' ' 297' ' ' THR . 0.2 OUTLIER -44.01 -26.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 299' ' ' TYR . . . . . 0.991 ' HB2' ' HB2' ' A' ' 225' ' ' SER . 1.0 OUTLIER -106.34 -32.91 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 110.966 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.778 ' N ' ' O ' ' A' ' 296' ' ' ILE . . . -59.82 -58.92 6.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 301' ' ' LYS . . . . . 0.688 ' HA ' HG22 ' A' ' 307' ' ' VAL . 82.6 mttt -49.81 -5.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 302' ' ' SER . . . . . 0.674 ' HB3' ' O ' ' A' ' 299' ' ' TYR . 6.6 p -68.69 -52.47 30.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 303' ' ' ILE . . . . . 0.775 HG13 ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -51.44 129.77 33.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 304' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.3 Cg_endo -74.99 15.76 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 305' ' ' GLY . . . . . 0.551 ' HA3' HD12 ' A' ' 409' ' ' ILE . . . -131.16 -23.1 0.95 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.735 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 79.1 t80 -64.63 -53.86 40.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 307' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -70.24 -18.79 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -77.67 -12.73 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.746 ' HB2' ' HG3' ' A' ' 314' ' ' GLN . 5.4 mt -69.7 -110.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 310' ' ' ASP . . . . . 0.842 ' CG ' HD12 ' A' ' 401' ' ' LEU . 8.5 t70 -150.71 155.58 39.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 311' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 315' ' ' VAL . 0.2 OUTLIER -53.92 -48.98 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 312' ' ' ASN . . . . . 0.958 ' HB2' HD11 ' A' ' 401' ' ' LEU . 64.5 m-80 -80.84 -54.72 5.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 313' ' ' ASP . . . . . 1.11 ' OD2' HD11 ' A' ' 406' ' ' ILE . 34.3 t0 -40.2 -47.49 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 314' ' ' GLN . . . . . 0.746 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 5.5 mt-30 -61.88 -51.34 68.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 315' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 311' ' ' LEU . 75.4 t -61.35 -47.6 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.843 HG21 ' C ' ' A' ' 399' ' ' GLY . 24.9 m -43.75 -65.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 317' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -46.22 -51.75 13.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 318' ' ' LEU . . . . . 1.053 HD23 HG22 ' A' ' 322' ' ' VAL . 0.3 OUTLIER -56.8 -53.13 61.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 318' ' ' LEU . 0.7 OUTLIER -35.24 -41.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 320' ' ' TYR . . . . . 0.502 ' CB ' ' HG3' ' A' ' 397' ' ' ARG . 0.1 OUTLIER -118.95 6.51 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 321' ' ' GLY . . . . . 0.732 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -103.73 -50.71 1.01 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 322' ' ' VAL . . . . . 1.053 HG22 HD23 ' A' ' 318' ' ' LEU . 4.0 t -44.84 -25.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 323' ' ' HIS . . . . . 0.542 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 23.8 m170 -70.82 -49.4 46.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 324' ' ' GLU . . . . . 0.977 ' HA ' HD12 ' A' ' 442' ' ' LEU . 7.6 mt-10 -72.03 2.81 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 325' ' ' ILE . . . . . 1.025 HD12 HG22 ' A' ' 391' ' ' ILE . 0.7 OUTLIER -106.56 -46.79 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 326' ' ' ILE . . . . . 0.766 HD11 HG12 ' A' ' 322' ' ' VAL . 15.1 mt -77.03 -38.27 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.723 ' HD2' HG22 ' A' ' 446' ' ' VAL . 5.7 m-30 -76.94 -26.09 53.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 328' ' ' THR . . . . . 0.923 ' HA ' HD21 ' A' ' 442' ' ' LEU . 3.9 t -71.38 -57.78 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.585 ' N ' ' CG2' ' A' ' 328' ' ' THR . 17.2 ptt? -74.81 -25.08 58.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.687 ' O ' ' HG2' ' A' ' 334' ' ' MET . 1.3 mt -47.51 -56.72 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 331' ' ' ALA . . . . . 0.941 ' HA ' ' HB2' ' A' ' 371' ' ' ALA . . . -31.58 -57.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 332' ' ' SER . . . . . 0.697 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 64.1 m -56.58 -46.59 80.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.837 ' N ' HD23 ' A' ' 333' ' ' LEU . 0.6 OUTLIER -64.8 -13.52 55.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 334' ' ' MET . . . . . 0.687 ' HG2' ' O ' ' A' ' 330' ' ' LEU . 2.5 mmt -76.23 173.23 11.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 335' ' ' ASN . . . . . 0.686 ' HB2' HD21 ' A' ' 237' ' ' LEU . 0.1 OUTLIER -140.96 8.81 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 336' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER 81.65 -41.37 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 337' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' A' ' 349' ' ' THR . 0.3 OUTLIER -126.63 10.53 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 338' ' ' GLY . . . . . 0.676 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -171.3 174.04 44.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 339' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 341' ' ' ILE . 2.7 p -143.37 154.56 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 0.83 HD21 ' CD1' ' A' ' 237' ' ' LEU . 1.2 mm? -65.68 121.96 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 341' ' ' ILE . . . . . 0.866 ' C ' HD13 ' A' ' 341' ' ' ILE . 0.0 OUTLIER -154.69 177.88 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 342' ' ' SER . . . . . 0.436 ' N ' HG12 ' A' ' 341' ' ' ILE . 69.0 m 65.69 120.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.25 -18.71 39.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 345' ' ' GLN . . . -67.93 -7.81 50.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 345' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 344' ' ' GLY . 1.1 tt0 84.15 63.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 346' ' ' GLY . . . . . 0.726 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . -132.27 -150.86 6.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.437 1.086 . . . . 0.0 110.962 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 0.957 ' CZ ' HG23 ' A' ' 248' ' ' VAL . 0.2 OUTLIER -170.29 123.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 110.973 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.68 ' N ' HD12 ' A' ' 341' ' ' ILE . 2.2 mtp -81.4 115.4 20.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 349' ' ' THR . . . . . 0.676 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 2.2 p -61.1 150.25 34.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.391 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 350' ' ' ARG . . . . . 0.864 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 8.9 ttm180 -65.31 -53.16 47.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 351' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 355' ' ' SER . 11.3 pt-20 -41.88 -22.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 352' ' ' PHE . . . . . 0.639 ' CE2' HD13 ' A' ' 255' ' ' LEU . 1.0 OUTLIER -88.77 -67.2 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 353' ' ' LEU . . . . . 0.805 ' O ' HD21 ' A' ' 356' ' ' LEU . 0.4 OUTLIER -50.13 -51.94 39.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 354' ' ' LYS . . . . . 0.596 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.0 OUTLIER -61.84 -37.85 86.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 355' ' ' SER . . . . . 0.914 ' O ' HD23 ' A' ' 356' ' ' LEU . 0.6 OUTLIER -53.61 80.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 356' ' ' LEU . . . . . 0.914 HD23 ' O ' ' A' ' 355' ' ' SER . 0.0 OUTLIER 177.38 -161.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 357' ' ' ARG . . . . . 0.639 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.0 OUTLIER -30.68 145.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 358' ' ' LYS . . . . . 0.85 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -44.48 -57.97 5.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.85 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.06 -75.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 360' ' ' PHE . . . . . 0.87 ' CE1' HD12 ' A' ' 456' ' ' ILE . 13.6 m-85 -46.78 -16.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 361' ' ' GLY . . . . . 0.641 ' HA2' HD12 ' A' ' 356' ' ' LEU . . . -101.07 38.57 3.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.43 1.082 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 362' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 362' ' ' ASP . 0.5 OUTLIER 178.52 55.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 0.772 . . . . 0.0 109.356 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 363' ' ' PHE . . . . . 0.534 ' CE1' ' HA ' ' A' ' 360' ' ' PHE . 3.9 m-85 -104.34 -11.41 17.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 364' ' ' MET . . . . . 0.781 ' HB2' HD13 ' A' ' 353' ' ' LEU . 0.0 OUTLIER -120.34 -5.82 9.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 365' ' ' GLU . . . . . 0.864 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 4.3 tp10 -67.44 -38.74 16.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.2 Cg_endo -75.0 -26.4 10.95 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 367' ' ' LYS . . . . . 0.649 ' HB2' ' CE ' ' A' ' 334' ' ' MET . 15.2 mttp -75.48 -49.29 19.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 368' ' ' PHE . . . . . 0.755 ' CE2' ' HB2' ' A' ' 350' ' ' ARG . 5.0 m-30 -56.08 -47.77 77.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 369' ' ' GLU . . . . . 1.02 ' O ' HG12 ' A' ' 372' ' ' VAL . 0.8 OUTLIER -59.58 -46.56 88.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 370' ' ' PHE . . . . . 0.906 ' CE2' ' HB2' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -61.53 -31.71 71.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 371' ' ' ALA . . . . . 0.941 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -66.4 -51.8 53.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 372' ' ' VAL . . . . . 1.02 HG12 ' O ' ' A' ' 369' ' ' GLU . 3.5 p -50.99 -20.18 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 373' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -99.99 -25.03 14.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 374' ' ' PHE . . . . . 0.662 ' CZ ' HD23 ' A' ' 442' ' ' LEU . 0.1 OUTLIER -84.81 -40.45 17.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 375' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 371' ' ' ALA . 4.8 m120 -57.02 -14.09 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -89.02 32.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.616 HD11 ' HG2' ' A' ' 438' ' ' LYS . 1.2 pp -169.56 5.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 378' ' ' GLU . . . . . 0.886 ' C ' HD22 ' A' ' 379' ' ' LEU . 3.1 mm-40 -69.07 162.34 27.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.886 HD22 ' C ' ' A' ' 378' ' ' GLU . 3.6 mm? -134.35 -101.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 380' ' ' ASP . . . . . 0.911 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 3.2 p30 -139.52 153.3 47.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 381' ' ' ASP . . . . . 0.572 ' OD2' ' HB3' ' A' ' 231' ' ' ALA . 62.3 m-20 -53.43 -11.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 382' ' ' SER . . . . . 1.02 ' HA ' ' CE2' ' A' ' 219' ' ' TYR . 0.3 OUTLIER -72.67 -68.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.04 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 383' ' ' ASP . . . . . 0.476 ' OD1' ' ND2' ' A' ' 424' ' ' ASN . 0.7 OUTLIER -57.63 -24.04 54.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.919 ' O ' ' HD1' ' A' ' 387' ' ' PHE . 10.2 mt -80.18 -67.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 385' ' ' ALA . . . . . 0.605 ' C ' ' O ' ' A' ' 384' ' ' LEU . . . -23.01 -38.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.937 ' HA ' HD12 ' A' ' 218' ' ' LEU . 5.7 mt -81.69 -54.93 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 387' ' ' PHE . . . . . 0.919 ' HD1' ' O ' ' A' ' 384' ' ' LEU . 0.1 OUTLIER -37.8 -26.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 388' ' ' ILE . . . . . 0.805 ' N ' ' CD1' ' A' ' 387' ' ' PHE . 0.0 OUTLIER -59.57 -55.01 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 389' ' ' ALA . . . . . 1.035 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -60.43 -37.7 81.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.714 ' O ' ' NE2' ' A' ' 410' ' ' GLN . 7.0 t -61.24 -13.84 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 1.025 HG22 HD12 ' A' ' 325' ' ' ILE . 19.8 mm -107.44 -18.94 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 392' ' ' ILE . . . . . 0.972 HG22 HD23 ' A' ' 393' ' ' LEU . 91.4 mt -69.79 -76.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.972 HD23 HG22 ' A' ' 392' ' ' ILE . 0.0 OUTLIER -64.29 91.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 394' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 396' ' ' ASP . 51.9 m -110.48 81.21 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 395' ' ' GLY . . . . . 0.723 ' HA2' HG22 ' A' ' 403' ' ' VAL . . . -59.33 72.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 396' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 394' ' ' SER . 5.6 p-10 -177.77 -22.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 397' ' ' ARG . . . . . 0.51 ' NH2' ' OG ' ' A' ' 394' ' ' SER . 0.0 OUTLIER -49.6 147.59 5.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.29 8.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 399' ' ' GLY . . . . . 0.843 ' C ' HG21 ' A' ' 316' ' ' THR . . . 93.02 36.28 6.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.757 HD13 HG22 ' A' ' 403' ' ' VAL . 15.7 mt -92.45 150.98 20.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.958 HD11 ' HB2' ' A' ' 312' ' ' ASN . 15.5 mt -100.78 -73.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 402' ' ' ASN . . . . . 1.279 ' O ' ' CD1' ' A' ' 406' ' ' ILE . 16.9 m-20 -105.71 79.54 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 403' ' ' VAL . . . . . 0.969 ' HA ' HD13 ' A' ' 406' ' ' ILE . 0.9 OUTLIER -67.72 -3.95 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.664 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 6.2 mtmt -77.53 -45.01 2.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 405' ' ' PRO . . . . . 1.266 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -20.18 17.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 406' ' ' ILE . . . . . 1.279 ' CD1' ' O ' ' A' ' 402' ' ' ASN . 4.0 mp -72.2 -56.82 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.74 -10.33 59.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 408' ' ' ASP . . . . . 0.664 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 59.7 m-20 -87.64 -45.88 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 409' ' ' ILE . . . . . 0.894 HG22 HD11 ' A' ' 393' ' ' LEU . 33.6 mm -72.67 -27.7 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 410' ' ' GLN . . . . . 0.813 ' HG2' HD12 ' A' ' 413' ' ' LEU . 0.0 OUTLIER -77.56 -38.34 48.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.37 -25.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.83 -50.35 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 1.035 HD13 ' HB1' ' A' ' 389' ' ' ALA . 2.3 mt -52.91 -41.67 64.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.843 HD21 HD22 ' A' ' 436' ' ' LEU . 0.1 OUTLIER -62.02 -49.54 75.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.525 ' O ' ' HB3' ' A' ' 419' ' ' LEU . 45.3 mt-30 -48.72 -51.87 26.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.673 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -55.1 -50.22 69.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 1.007 HD22 ' C ' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -43.56 -78.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 418' ' ' GLU . . . . . 0.923 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -53.68 -24.33 14.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.85 HD21 ' CB ' ' A' ' 211' ' ' LEU . 0.0 OUTLIER -67.49 -81.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 420' ' ' GLN . . . . . 0.659 ' O ' ' CG ' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -56.46 -11.95 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.595 HD11 ' CD1' ' A' ' 435' ' ' LEU . 0.5 OUTLIER -88.52 -57.26 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 422' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 0.0 OUTLIER -80.83 15.33 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.834 HD12 ' HG ' ' A' ' 419' ' ' LEU . 28.4 mt -125.89 -32.94 2.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.659 ' CG ' ' O ' ' A' ' 420' ' ' GLN . 31.6 p-10 -92.85 -11.78 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.505 ' CG ' ' OD1' ' A' ' 424' ' ' ASN . 3.5 p80 177.34 67.4 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.639 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.557 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.1 Cg_endo -75.05 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 0.0 110.979 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.01 -76.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 428' ' ' SER . . . . . 0.45 ' HB2' HD23 ' A' ' 431' ' ' LEU . 0.1 OUTLIER -80.94 -170.65 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.997 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 429' ' ' SER . . . . . 0.406 ' HB2' ' NE2' ' A' ' 430' ' ' GLN . 37.5 m -92.62 -36.11 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 430' ' ' GLN . . . . . 0.656 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -126.91 24.37 6.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 431' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 431' ' ' LEU . 1.7 tm? -38.53 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 432' ' ' PHE . . . . . 0.739 ' CD1' HD23 ' A' ' 436' ' ' LEU . 0.1 OUTLIER -85.29 -47.85 9.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 433' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 430' ' ' GLN . . . -41.57 -27.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.552 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.0 OUTLIER -97.25 -49.18 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 435' ' ' LEU . . . . . 0.595 ' CD1' HD11 ' A' ' 421' ' ' LEU . 0.5 OUTLIER -39.02 -39.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.843 HD22 HD21 ' A' ' 414' ' ' LEU . 1.9 pp -75.18 -47.34 28.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' GLN . . . . . 0.599 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 1.3 mm100 -46.14 -14.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.616 ' HG2' HD11 ' A' ' 377' ' ' LEU . 0.0 OUTLIER -47.1 -29.78 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 439' ' ' MET . . . . . 0.66 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.36 -43.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.2 OUTLIER -34.3 -76.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.589 ' O ' HG13 ' A' ' 445' ' ' ILE . 28.6 m-20 -52.08 -25.91 9.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.977 HD12 ' HA ' ' A' ' 324' ' ' GLU . 0.5 OUTLIER -76.42 -75.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 443' ' ' ARG . . . . . 0.66 ' N ' ' O ' ' A' ' 439' ' ' MET . 18.3 ttt180 -52.63 -19.67 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.635 ' O ' HG22 ' A' ' 447' ' ' THR . 31.6 mm-40 -72.16 -68.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.691 HD11 ' HB2' ' A' ' 370' ' ' PHE . 0.9 OUTLIER -45.63 -28.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 442' ' ' LEU . 41.3 t -65.72 -73.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 444' ' ' GLN . 5.0 t -42.14 -26.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 446' ' ' VAL . 10.1 mm-40 -86.85 -55.55 3.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 449' ' ' HIS . . . . . 0.469 ' CD2' ' HE3' ' A' ' 367' ' ' LYS . 60.1 t-80 -51.37 -19.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.528 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' VAL . . . . . 1.055 ' HA ' HD12 ' A' ' 453' ' ' LEU . 4.0 t -92.79 -48.07 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 451' ' ' GLN . . . . . 0.417 ' O ' ' CG2' ' A' ' 455' ' ' VAL . 15.7 mt-30 -52.24 -19.99 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.558 HD12 ' CB ' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -94.39 -56.79 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 1.055 HD12 ' HA ' ' A' ' 450' ' ' VAL . 0.0 OUTLIER -69.78 -12.83 61.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 454' ' ' GLN . . . . . 0.945 ' N ' HD13 ' A' ' 453' ' ' LEU . 2.5 tt0 -92.99 -42.23 9.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.463 ' O ' ' HB ' ' A' ' 459' ' ' THR . 4.1 t -68.17 -17.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.87 HD12 ' CE1' ' A' ' 360' ' ' PHE . 10.5 pt -98.91 -48.81 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.778 ' HG3' HD22 ' A' ' 453' ' ' LEU . 0.3 OUTLIER -54.67 -19.09 5.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -110.86 -22.99 11.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 459' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 459' ' ' THR . 1.3 m -146.98 53.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.382 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.715 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.3 OUTLIER -57.4 170.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -63.2 -26.22 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 462' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.7 OUTLIER 170.57 53.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 4.3 ttm 59.79 156.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 13.4 t -178.16 153.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 1.115 HD23 HD13 ' A' ' 469' ' ' LEU . 0.2 OUTLIER 72.35 -124.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 466' ' ' HIS . . . . . 1.011 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 11.0 p80 -159.7 -174.79 0.45 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.563 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 467' ' ' PRO . . . . . 1.011 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 2.9 mt -43.51 -19.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 1.115 HD13 HD23 ' A' ' 465' ' ' LEU . 0.0 OUTLIER -91.55 -51.32 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.462 ' HB2' ' HZ3' ' A' ' 457' ' ' LYS . 0.9 OUTLIER -58.35 -29.69 66.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -74.0 -68.45 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' ILE . . . . . 0.766 HD12 ' N ' ' A' ' 473' ' ' TYR . 2.3 pp -42.11 -60.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 473' ' ' TYR . . . . . 0.766 ' N ' HD12 ' A' ' 472' ' ' ILE . 1.4 t80 -47.0 -51.93 16.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 474' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 474' ' ' LYS . 0.7 OUTLIER -46.32 169.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.33 154.2 29.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 211' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 208' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 211' ' ' LEU . 54.1 m -66.48 -66.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.611 ' O ' ' HB2' ' A' ' 213' ' ' ALA . . . -51.22 -17.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 210' ' ' ASP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 0.0 OUTLIER -97.65 -27.62 14.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.978 HD12 HD22 ' A' ' 419' ' ' LEU . 0.1 OUTLIER -60.69 -53.46 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 212' ' ' ARG . . . . . 0.469 ' NH1' ' HA ' ' A' ' 420' ' ' GLN . 2.3 tpm_? -77.91 -28.58 49.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 209' ' ' ALA . . . -71.17 -55.59 7.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 214' ' ' LEU . . . . . 0.643 ' HG ' HD13 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -50.79 -44.45 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -48.22 -59.75 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 216' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -47.12 -33.05 4.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 217' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 68.1 t60 -73.25 -73.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.595 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 1.014 HD21 HD22 ' A' ' 413' ' ' LEU . 7.7 mp -37.89 -58.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 219' ' ' TYR . . . . . 1.008 ' CE1' HD13 ' A' ' 223' ' ' ILE . 92.8 t80 -58.14 -40.49 81.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 220' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 2.4 m-20 -58.41 -63.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 221' ' ' SER . . . . . 1.263 ' O ' ' CD2' ' A' ' 299' ' ' TYR . 0.0 OUTLIER -71.21 6.75 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.032 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 222' ' ' TYR . . . . . 0.894 ' HB2' ' O ' ' A' ' 218' ' ' LEU . 0.1 OUTLIER -113.72 -54.06 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 1.008 HD13 ' CE1' ' A' ' 219' ' ' TYR . 1.4 tp -48.47 -19.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 224' ' ' LYS . . . . . 0.893 ' HB2' ' CE2' ' A' ' 299' ' ' TYR . 0.7 OUTLIER -94.92 -44.51 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 225' ' ' SER . . . . . 0.714 ' HB2' ' HD2' ' A' ' 299' ' ' TYR . 33.3 t -38.41 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 226' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.88 122.09 86.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.4 2.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.529 HD12 HD12 ' A' ' 333' ' ' LEU . 0.2 OUTLIER -95.14 117.56 30.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 229' ' ' THR . . . . . 0.633 ' CA ' HD11 ' A' ' 333' ' ' LEU . 55.6 p -131.76 -165.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 230' ' ' LYS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 332' ' ' SER . 0.0 OUTLIER -77.93 -37.28 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 231' ' ' ALA . . . . . 1.127 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -70.62 -20.51 62.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 232' ' ' LYS . . . . . 0.408 ' HG3' ' OG1' ' A' ' 229' ' ' THR . 0.6 OUTLIER -102.06 -39.6 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 233' ' ' ALA . . . . . 0.94 ' HB2' HD12 ' A' ' 333' ' ' LEU . . . -66.85 -53.97 27.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.902 ' NH1' HD22 ' A' ' 237' ' ' LEU . 0.2 OUTLIER -75.59 -15.08 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 235' ' ' ALA . . . . . 1.127 ' HB2' ' O ' ' A' ' 231' ' ' ALA . . . -60.84 -59.61 5.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.877 HD12 ' HB3' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -73.04 -39.16 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 237' ' ' LEU . . . . . 0.924 HD13 HD21 ' A' ' 340' ' ' LEU . 0.7 OUTLIER -52.45 -17.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 238' ' ' THR . . . . . 0.735 HG22 ' C ' ' A' ' 237' ' ' LEU . 0.1 OUTLIER 162.61 -10.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 239' ' ' GLY . . . . . 0.809 ' C ' ' O ' ' A' ' 235' ' ' ALA . . . -89.79 57.69 3.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 240' ' ' LYS . . . . . 0.792 ' HD2' ' N ' ' A' ' 240' ' ' LYS . 0.0 OUTLIER 130.22 -144.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 241' ' ' THR . . . . . 0.552 ' CG2' ' HA ' ' A' ' 236' ' ' ILE . 0.0 OUTLIER 46.21 27.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 242' ' ' THR . 0.4 OUTLIER 60.4 12.35 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 243' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 242' ' ' THR . 0.2 OUTLIER 75.47 78.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 244' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 245' ' ' SER . 0.1 OUTLIER -141.68 -72.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 245' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 244' ' ' LYS . 0.8 OUTLIER 154.55 156.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.038 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 246' ' ' PRO . . . . . 0.877 ' HB3' HD12 ' A' ' 236' ' ' ILE . 18.3 Cg_endo -75.02 165.92 30.27 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 247' ' ' PHE . . . . . 0.655 ' N ' ' HA2' ' A' ' 346' ' ' GLY . 0.1 OUTLIER -46.85 67.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 1.091 HG23 ' CZ ' ' A' ' 347' ' ' PHE . 15.0 p -43.31 147.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 249' ' ' ILE . . . . . 0.626 HG22 ' O ' ' A' ' 249' ' ' ILE . 0.4 OUTLIER -130.56 101.39 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 250' ' ' TYR . . . . . 0.565 ' HA ' ' CE1' ' A' ' 352' ' ' PHE . 0.0 OUTLIER -175.19 -33.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 251' ' ' ASP . . . . . 0.493 ' OD2' ' N ' ' A' ' 253' ' ' ASN . 0.0 OUTLIER -75.93 162.03 28.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 252' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 253' ' ' ASN . 0.0 OUTLIER -45.67 -70.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.042 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.493 ' N ' ' OD2' ' A' ' 251' ' ' ASP . 0.9 OUTLIER -38.92 -58.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 254' ' ' SER . . . . . . . . . . . . . 53.0 p -53.97 -61.33 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 255' ' ' LEU . . . . . 0.866 HD13 ' N ' ' A' ' 256' ' ' MET . 0.7 OUTLIER -47.55 -69.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 256' ' ' MET . . . . . 0.866 ' N ' HD13 ' A' ' 255' ' ' LEU . 0.1 OUTLIER -40.0 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 257' ' ' MET . . . . . 0.647 ' O ' ' N ' ' A' ' 261' ' ' LYS . 48.1 mtm -42.21 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 258' ' ' GLY . . . . . 0.691 ' O ' ' N ' ' A' ' 261' ' ' LYS . . . -30.99 -76.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.531 ' OE2' ' NE ' ' A' ' 280' ' ' ARG . 0.4 OUTLIER -43.23 -38.55 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 260' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 261' ' ' LYS . 0.4 OUTLIER -80.68 -15.38 56.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 261' ' ' LYS . . . . . 0.691 ' N ' ' O ' ' A' ' 258' ' ' GLY . 16.3 mmmt 92.77 56.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.463 ' O ' ' CG ' ' A' ' 257' ' ' MET . 2.1 mt 76.06 -51.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -175.86 43.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 264' ' ' PHE . . . . . 0.514 ' CB ' ' HB2' ' A' ' 261' ' ' LYS . 0.3 OUTLIER -120.05 -168.57 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 266' ' ' HIS . 7.7 ttmm -115.84 44.09 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 266' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 268' ' ' THR . 0.3 OUTLIER 39.4 72.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.635 HG22 ' N ' ' A' ' 268' ' ' THR . 1.6 mp 62.83 -82.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 268' ' ' THR . . . . . 0.983 HG22 ' HG ' ' A' ' 270' ' ' LEU . 0.5 OUTLIER -143.6 175.45 2.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.397 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 269' ' ' PRO . . . . . 0.85 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.1 Cg_endo -75.05 51.51 2.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.983 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.0 OUTLIER -78.75 -86.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 271' ' ' GLN . . . . . 0.5 ' C ' ' O ' ' A' ' 270' ' ' LEU . 11.9 pt20 -29.9 108.83 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.65 88.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.305 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 273' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 68.66 -75.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 274' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 275' ' ' LYS . 80.3 p -162.69 76.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 274' ' ' SER . 0.0 OUTLIER -37.96 -63.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 276' ' ' GLU . . . . . 0.718 ' HG2' ' HB3' ' A' ' 278' ' ' ALA . 1.9 tt0 -162.25 143.86 10.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 277' ' ' VAL . . . . . 0.599 ' O ' HD22 ' A' ' 356' ' ' LEU . 3.3 t -64.99 -11.94 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 278' ' ' ALA . . . . . 0.825 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -90.2 -63.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 0.68 HD11 ' HA ' ' A' ' 465' ' ' LEU . 0.5 OUTLIER -36.78 -36.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 280' ' ' ARG . . . . . 0.706 ' NE ' HD12 ' A' ' 281' ' ' ILE . 2.9 ptt180 -77.76 -51.5 10.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 281' ' ' ILE . . . . . 0.748 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.1 OUTLIER -78.14 -49.85 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 282' ' ' PHE . . . . . 0.825 ' N ' ' O ' ' A' ' 278' ' ' ALA . 2.7 t80 -48.79 -44.61 39.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 283' ' ' GLN . . . . . 0.542 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 29.6 mt-30 -69.33 -37.64 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 284' ' ' GLY . . . . . 0.461 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -82.81 -57.13 2.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 285' ' ' CYS . . . . . 0.748 ' N ' ' O ' ' A' ' 281' ' ' ILE . 11.2 m -52.96 -17.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 286' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 58.2 tp60 -106.3 -25.12 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 287' ' ' PHE . . . . . 0.572 ' CD2' ' OE1' ' A' ' 291' ' ' GLU . 12.8 t80 -52.93 -31.46 40.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -61.29 -22.2 64.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 289' ' ' SER . . . . . 1.002 ' HA ' HG21 ' A' ' 326' ' ' ILE . 26.3 t -88.04 -57.18 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.037 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 290' ' ' VAL . . . . . 0.483 ' O ' ' HG3' ' A' ' 294' ' ' GLN . 2.8 m -51.75 -26.83 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 291' ' ' GLU . . . . . 0.572 ' OE1' ' CD2' ' A' ' 287' ' ' PHE . 28.9 mt-10 -77.06 -63.25 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 292' ' ' ALA . . . . . 0.905 ' HB3' HG12 ' A' ' 326' ' ' ILE . . . -34.2 -58.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 293' ' ' VAL . . . . . 0.93 HG13 HG11 ' A' ' 322' ' ' VAL . 18.3 t -41.52 -46.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.07 -28.76 60.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 295' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.5 mm-40 -71.23 -53.59 13.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 296' ' ' ILE . . . . . 0.96 ' O ' ' N ' ' A' ' 300' ' ' ALA . 1.7 mp -55.41 -78.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 297' ' ' THR . . . . . 0.759 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 1.0 OUTLIER -31.58 -70.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.457 ' N ' HG22 ' A' ' 297' ' ' THR . 1.2 mm-40 -34.94 -31.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 299' ' ' TYR . . . . . 1.263 ' CD2' ' O ' ' A' ' 221' ' ' SER . 0.5 OUTLIER -116.37 -24.96 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 1.116 ' O ' ' N ' ' A' ' 302' ' ' SER . . . -51.44 -53.59 35.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 301' ' ' LYS . . . . . 0.516 ' HA ' HG22 ' A' ' 307' ' ' VAL . 14.9 mttm -33.59 -2.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 302' ' ' SER . . . . . 1.116 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -61.68 -55.69 27.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.027 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 303' ' ' ILE . . . . . 0.892 HG23 HD11 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -46.3 126.25 7.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 304' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.3 Cg_endo -74.99 14.58 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 305' ' ' GLY . . . . . 0.556 ' O ' ' CD2' ' A' ' 309' ' ' LEU . . . -129.0 -23.02 1.19 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.843 ' HE1' HD11 ' A' ' 317' ' ' LEU . 0.6 OUTLIER -65.04 -56.3 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.79 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 307' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -69.17 -19.8 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.0 -15.56 61.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.8 mt -69.52 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 310' ' ' ASP . . . . . 0.719 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -141.66 149.43 40.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -46.8 72.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 312' ' ' ASN . . . . . 0.678 ' HB2' HD11 ' A' ' 401' ' ' LEU . 3.3 m120 -80.53 -57.31 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 313' ' ' ASP . . . . . 0.799 ' H ' HD12 ' A' ' 401' ' ' LEU . 23.2 t0 -39.66 -48.94 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 314' ' ' GLN . . . . . 0.579 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 6.3 mt-30 -56.81 -54.77 42.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.54 -32.53 58.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.794 HG21 ' HA ' ' A' ' 400' ' ' LEU . 0.9 OUTLIER -57.98 -65.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.392 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 317' ' ' LEU . . . . . 0.883 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -45.13 -44.12 10.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 318' ' ' LEU . . . . . 0.981 HD23 HG12 ' A' ' 322' ' ' VAL . 0.2 OUTLIER -57.81 -58.02 10.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 474' ' ' LYS . 0.0 OUTLIER -39.09 -40.9 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 320' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -112.51 4.04 17.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 321' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -108.82 -50.97 0.71 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 322' ' ' VAL . . . . . 0.981 HG12 HD23 ' A' ' 318' ' ' LEU . 3.9 m -37.35 -31.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 323' ' ' HIS . . . . . 0.96 ' CG ' HG11 ' A' ' 446' ' ' VAL . 0.0 OUTLIER -61.27 -60.77 3.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.63 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 324' ' ' GLU . . . . . 0.907 ' HA ' HD12 ' A' ' 442' ' ' LEU . 4.2 mp0 -66.73 1.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 325' ' ' ILE . . . . . 0.954 HD12 HG22 ' A' ' 391' ' ' ILE . 1.0 OUTLIER -100.62 -58.79 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 326' ' ' ILE . . . . . 1.002 HG21 ' HA ' ' A' ' 289' ' ' SER . 1.5 mt -60.54 -43.06 93.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.925 ' CD2' HG22 ' A' ' 446' ' ' VAL . 29.3 m-85 -76.54 -19.92 57.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 328' ' ' THR . . . . . 0.704 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 0.6 OUTLIER -58.02 -58.71 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.599 ' N ' ' CG2' ' A' ' 328' ' ' THR . 5.0 ptt? -93.55 -20.66 20.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.736 ' HB2' ' HA ' ' A' ' 327' ' ' TYR . 1.8 mt -38.64 -54.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 331' ' ' ALA . . . . . 0.805 ' HA ' ' HB2' ' A' ' 371' ' ' ALA . . . -38.67 -45.75 1.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 332' ' ' SER . . . . . 0.67 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -57.35 -47.04 82.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.996 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.94 HD12 ' HB2' ' A' ' 233' ' ' ALA . 0.2 OUTLIER -71.98 24.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 334' ' ' MET . . . . . 0.701 ' CG ' ' HA ' ' A' ' 368' ' ' PHE . 4.9 mmt -109.6 172.93 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 335' ' ' ASN . . . . . 0.793 ' O ' ' CD1' ' A' ' 368' ' ' PHE . 2.1 t-20 -139.52 172.58 12.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 336' ' ' LYS . . . . . 0.783 ' H ' ' ND2' ' A' ' 335' ' ' ASN . 0.1 OUTLIER -62.89 -50.56 70.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 337' ' ' ASP . . . . . 0.533 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 5.9 m-20 -125.65 36.05 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 338' ' ' GLY . . . . . 0.725 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -173.7 -172.97 39.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 339' ' ' VAL . . . . . 0.815 HG13 HD11 ' A' ' 353' ' ' LEU . 1.0 OUTLIER -146.99 128.43 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 0.924 HD21 HD13 ' A' ' 237' ' ' LEU . 3.6 mm? -53.24 128.86 29.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 341' ' ' ILE . . . . . 0.914 HG23 ' HA ' ' A' ' 347' ' ' PHE . 0.7 OUTLIER -125.25 114.02 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 3.7 t -50.88 -39.5 54.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.73 98.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 89.57 -5.64 83.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 345' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 247' ' ' PHE . 1.4 mp0 64.55 53.87 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 346' ' ' GLY . . . . . 0.655 ' HA2' ' N ' ' A' ' 247' ' ' PHE . . . -132.5 -126.64 2.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 1.091 ' CZ ' HG23 ' A' ' 248' ' ' VAL . 0.5 OUTLIER -177.45 142.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 110.989 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.512 ' HB2' HG21 ' A' ' 341' ' ' ILE . 21.6 ttm -94.69 116.51 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 349' ' ' THR . . . . . 0.725 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.0 p -63.7 155.55 29.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 350' ' ' ARG . . . . . 0.723 ' HA ' HD12 ' A' ' 353' ' ' LEU . 30.3 ttm180 -57.07 -53.66 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 351' ' ' GLU . . . . . 0.58 ' O ' ' HB2' ' A' ' 355' ' ' SER . 2.9 pt-20 -42.63 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 352' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 250' ' ' TYR . 0.1 OUTLIER -86.92 -54.67 4.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 353' ' ' LEU . . . . . 0.815 HD11 HG13 ' A' ' 339' ' ' VAL . 0.7 OUTLIER -53.74 -53.08 57.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 354' ' ' LYS . . . . . 0.681 ' O ' ' N ' ' A' ' 356' ' ' LEU . 5.2 mtpm? -64.79 -36.27 83.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 355' ' ' SER . . . . . 0.975 ' O ' HD23 ' A' ' 356' ' ' LEU . 0.4 OUTLIER -59.31 63.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 356' ' ' LEU . . . . . 0.975 HD23 ' O ' ' A' ' 355' ' ' SER . 4.6 mt -149.63 -155.6 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 357' ' ' ARG . . . . . 0.678 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 2.1 mtm180 -68.77 160.52 30.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 358' ' ' LYS . . . . . 0.845 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.38 -66.65 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.845 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.2 Cg_endo -75.02 -62.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 360' ' ' PHE . . . . . 0.549 ' CE1' HG21 ' A' ' 456' ' ' ILE . 2.3 m-30 -48.43 -11.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 361' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 357' ' ' ARG . . . -86.85 34.03 3.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 362' ' ' ASP . . . . . 0.532 ' O ' ' OD1' ' A' ' 362' ' ' ASP . 50.4 p30 -177.98 59.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 363' ' ' PHE . . . . . 0.498 ' O ' ' NZ ' ' A' ' 367' ' ' LYS . 0.6 OUTLIER -105.39 -22.44 13.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 364' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 285' ' ' CYS . 0.3 OUTLIER -128.29 -4.94 5.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 365' ' ' GLU . . . . . 0.756 ' OE1' ' CE2' ' A' ' 368' ' ' PHE . 1.6 tp10 -74.83 -36.24 2.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.2 Cg_endo -75.01 -32.95 4.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.548 1.815 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 367' ' ' LYS . . . . . 0.63 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 0.2 OUTLIER -69.97 -60.8 2.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 368' ' ' PHE . . . . . 0.793 ' CD1' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -59.92 -47.99 83.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 369' ' ' GLU . . . . . 0.861 ' O ' HG12 ' A' ' 372' ' ' VAL . 6.1 tt0 -50.64 -45.31 57.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 370' ' ' PHE . . . . . 1.095 ' CG ' HD11 ' A' ' 445' ' ' ILE . 3.7 m-85 -70.28 -33.93 72.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 371' ' ' ALA . . . . . 0.805 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -57.17 -47.47 81.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 372' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 369' ' ' GLU . 1.4 p -58.53 -15.63 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 373' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -102.19 -25.45 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 374' ' ' PHE . . . . . 0.668 ' CE1' ' OD1' ' A' ' 441' ' ' ASP . 0.1 OUTLIER -90.04 -35.79 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 375' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' A' ' 377' ' ' LEU . 1.7 m120 -57.98 -11.02 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -83.96 26.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.841 HD11 ' CE ' ' A' ' 438' ' ' LYS . 1.2 pp -167.04 4.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 378' ' ' GLU . . . . . 1.026 ' O ' HD23 ' A' ' 379' ' ' LEU . 1.3 mt-10 -73.35 -172.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 1.026 HD23 ' O ' ' A' ' 378' ' ' GLU . 6.6 mt -136.53 -134.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 380' ' ' ASP . . . . . 0.7 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 0.4 OUTLIER -110.98 148.45 32.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 381' ' ' ASP . . . . . 0.84 ' OD2' ' HB2' ' A' ' 231' ' ' ALA . 1.5 m-20 -38.17 -29.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 382' ' ' SER . . . . . 0.636 ' HA ' ' CD1' ' A' ' 219' ' ' TYR . 0.3 OUTLIER -58.46 -62.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.039 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 383' ' ' ASP . . . . . 0.557 ' OD2' ' HB3' ' A' ' 379' ' ' LEU . 5.9 m-20 -63.45 -20.17 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 11.3 mt -81.91 -61.7 1.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 385' ' ' ALA . . . . . 0.618 ' HB1' ' HB3' ' A' ' 222' ' ' TYR . . . -36.48 -42.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 413' ' ' LEU . 20.0 mt -70.1 -54.32 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 387' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 390' ' ' VAL . 1.3 t80 -35.26 -53.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 388' ' ' ILE . . . . . 0.797 ' CG1' HG23 ' A' ' 325' ' ' ILE . 0.3 OUTLIER -43.21 -50.54 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 389' ' ' ALA . . . . . 0.964 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -62.33 -34.02 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.653 HG13 ' NE2' ' A' ' 410' ' ' GLN . 39.2 t -69.22 -7.05 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.954 HG22 HD12 ' A' ' 325' ' ' ILE . 17.1 mm -110.22 -17.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 392' ' ' ILE . . . . . 0.718 HD13 ' CE2' ' A' ' 306' ' ' PHE . 0.1 OUTLIER -84.15 -56.86 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.8 ' O ' HG22 ' A' ' 406' ' ' ILE . 3.6 mm? -66.34 19.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 394' ' ' SER . . . . . 0.713 ' H ' ' C ' ' A' ' 392' ' ' ILE . 0.8 OUTLIER -76.71 117.01 17.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.045 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 395' ' ' GLY . . . . . 0.69 ' HA2' HD13 ' A' ' 400' ' ' LEU . . . -97.67 46.57 1.62 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 396' ' ' ASP . . . . . 0.54 ' OD1' ' CZ ' ' A' ' 397' ' ' ARG . 1.1 p-10 -101.12 -23.66 14.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 397' ' ' ARG . . . . . 0.919 ' HB2' ' HG ' ' A' ' 400' ' ' LEU . 14.0 mmt180 -61.03 123.36 75.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 10.2 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 399' ' ' GLY . . . . . 0.717 ' O ' HG21 ' A' ' 316' ' ' THR . . . -125.69 30.62 4.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.919 ' HG ' ' HB2' ' A' ' 397' ' ' ARG . 16.7 mt -91.3 -176.55 4.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.767 . . . . 0.0 109.264 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.799 HD12 ' H ' ' A' ' 313' ' ' ASP . 14.5 mt -126.04 -62.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 402' ' ' ASN . . . . . 0.953 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 4.6 m-20 -108.71 79.61 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 403' ' ' VAL . . . . . 0.959 ' HA ' HD12 ' A' ' 406' ' ' ILE . 1.0 OUTLIER -71.45 -13.02 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.763 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -70.74 -51.49 11.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 405' ' ' PRO . . . . . 0.953 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -21.91 15.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 406' ' ' ILE . . . . . 0.959 HD12 ' HA ' ' A' ' 403' ' ' VAL . 41.5 mt -68.66 -79.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -18.8 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 408' ' ' ASP . . . . . 0.763 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 29.1 m-20 -74.28 -59.65 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 409' ' ' ILE . . . . . 0.73 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 25.0 mm -56.96 -21.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 410' ' ' GLN . . . . . 0.779 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -73.8 -45.29 52.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 411' ' ' ASP . . . . . 0.462 ' HA ' ' CD2' ' A' ' 414' ' ' LEU . 15.8 t70 -42.34 -24.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 412' ' ' ASN . . . . . 0.483 ' N ' ' C ' ' A' ' 410' ' ' GLN . 1.8 t-20 -88.92 -68.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 1.014 HD22 HD21 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -36.89 -47.61 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 415' ' ' GLN . 0.9 OUTLIER -60.72 -54.67 42.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.924 ' HB3' HD21 ' A' ' 211' ' ' LEU . 21.5 mt-30 -43.88 -57.21 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.688 ' O ' ' N ' ' A' ' 420' ' ' GLN . . . -48.87 -57.57 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 1.008 HD22 ' C ' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -38.66 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 418' ' ' GLU . . . . . 0.908 ' H ' HD13 ' A' ' 417' ' ' LEU . 31.4 tt0 -50.64 -32.44 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.249 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.978 HD22 HD12 ' A' ' 211' ' ' LEU . 0.7 OUTLIER -70.04 -73.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 420' ' ' GLN . . . . . 0.688 ' N ' ' O ' ' A' ' 416' ' ' ALA . 0.0 OUTLIER -43.21 -35.87 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.844 HD12 ' C ' ' A' ' 421' ' ' LEU . 0.1 OUTLIER -73.28 -41.17 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 422' ' ' LYS . . . . . 0.538 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 4.4 mttt -77.91 6.67 7.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.787 HD11 ' HG ' ' A' ' 419' ' ' LEU . 10.0 mt -123.32 -42.52 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.616 ' HB3' ' O ' ' A' ' 420' ' ' GLN . 0.0 OUTLIER -81.17 -16.07 53.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.541 ' O ' ' CG ' ' A' ' 425' ' ' HIS . 0.3 OUTLIER 177.08 73.15 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.589 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.538 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.3 Cg_endo -74.95 151.76 40.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 170.32 175.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 36.6 t 63.64 -100.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 3.2 p 171.21 -66.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' GLN . . . . . 0.61 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -102.83 25.99 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 431' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 430' ' ' GLN . 0.7 OUTLIER -38.25 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 432' ' ' PHE . . . . . 0.874 ' CE1' HD23 ' A' ' 436' ' ' LEU . 0.5 OUTLIER -84.91 -49.04 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 433' ' ' ALA . . . . . 0.648 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -44.5 -24.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.444 ' N ' ' C ' ' A' ' 432' ' ' PHE . 0.3 OUTLIER -98.02 -48.26 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 435' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.3 OUTLIER -39.52 -38.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.874 HD23 ' CE1' ' A' ' 432' ' ' PHE . 3.3 pp -74.62 -49.44 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' GLN . . . . . 0.648 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 1.3 mt-30 -49.73 -11.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.841 ' CE ' HD11 ' A' ' 377' ' ' LEU . 3.1 mmpm? -48.63 -29.83 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' MET . . . . . 0.69 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.05 -46.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.761 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.1 OUTLIER -31.08 -95.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.668 ' OD1' ' CE1' ' A' ' 374' ' ' PHE . 0.5 OUTLIER -44.92 -22.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.907 HD12 ' HA ' ' A' ' 324' ' ' GLU . 1.0 OUTLIER -73.45 -79.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 443' ' ' ARG . . . . . 0.69 ' N ' ' O ' ' A' ' 439' ' ' MET . 1.2 ttt180 -58.72 -19.79 43.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.234 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.994 ' O ' HG22 ' A' ' 447' ' ' THR . 13.6 mm-40 -75.84 -79.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 1.095 HD11 ' CG ' ' A' ' 370' ' ' PHE . 10.1 mt -44.92 -45.45 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.96 HG11 ' CG ' ' A' ' 323' ' ' HIS . 68.6 t -51.93 -66.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' THR . . . . . 0.994 HG22 ' O ' ' A' ' 444' ' ' GLN . 15.3 t -46.26 -24.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.43 -52.41 9.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' HIS . . . . . 0.634 ' CG ' ' HH ' ' A' ' 327' ' ' TYR . 0.1 OUTLIER -42.81 -31.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.598 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 450' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' A' ' 454' ' ' GLN . 21.9 t -82.01 -49.4 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 451' ' ' GLN . . . . . 0.735 ' O ' HG23 ' A' ' 455' ' ' VAL . 4.6 mt-30 -44.94 -25.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.401 ' N ' ' C ' ' A' ' 450' ' ' VAL . 1.6 mt -86.71 -68.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 457' ' ' LYS . 0.1 OUTLIER -58.56 -17.18 19.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 454' ' ' GLN . . . . . 0.675 ' O ' ' CG ' ' A' ' 458' ' ' LYS . 0.7 OUTLIER -80.56 -50.52 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 451' ' ' GLN . 95.4 t -70.62 -6.02 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.885 ' O ' ' N ' ' A' ' 460' ' ' GLU . 1.4 tp -105.91 -59.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.65 ' HB3' HD12 ' A' ' 453' ' ' LEU . 0.0 OUTLIER -49.76 -20.04 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.675 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -102.6 -39.4 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 459' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 459' ' ' THR . 2.1 m -126.39 39.52 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.885 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.2 OUTLIER -44.12 170.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.5 OUTLIER -72.28 -22.45 61.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 462' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 461' ' ' THR . 4.2 t0 170.72 54.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 5.5 ttt 62.07 152.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 465' ' ' LEU . 3.6 m -164.62 175.84 9.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.816 HD23 HD13 ' A' ' 469' ' ' LEU . 0.1 OUTLIER 39.29 -127.06 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 466' ' ' HIS . . . . . 0.908 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 13.2 p80 -158.59 -177.3 0.72 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 467' ' ' PRO . . . . . 0.908 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.99 -44.88 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 0.5 OUTLIER -43.86 -20.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.816 HD13 HD23 ' A' ' 465' ' ' LEU . 0.0 OUTLIER -89.26 -56.86 3.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.484 ' CG ' ' HD2' ' A' ' 457' ' ' LYS . 1.4 tt0 -46.76 -28.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -76.05 -53.25 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 472' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.0 OUTLIER -45.43 -57.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 473' ' ' TYR . . . . . 0.528 ' CZ ' ' CD2' ' A' ' 453' ' ' LEU . 0.3 OUTLIER -56.29 -47.79 77.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 474' ' ' LYS . . . . . 0.446 ' O ' ' NZ ' ' A' ' 319' ' ' LYS . 0.0 OUTLIER -54.67 -169.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.69 140.37 29.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 1.032 ' O ' ' HB3' ' A' ' 211' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 208' ' ' SER . . . . . 0.72 ' O ' ' C ' ' A' ' 209' ' ' ALA . 4.4 m -33.84 -70.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.914 ' O ' ' HB3' ' A' ' 213' ' ' ALA . . . 0.15 -113.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 210' ' ' ASP . . . . . 0.566 ' O ' ' HB3' ' A' ' 214' ' ' LEU . 2.1 p30 -105.69 -12.59 15.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 1.187 HD22 ' CD1' ' A' ' 419' ' ' LEU . 0.1 OUTLIER -56.97 -60.57 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 212' ' ' ARG . . . . . 0.44 ' NH2' ' HB2' ' A' ' 420' ' ' GLN . 0.3 OUTLIER -94.55 -21.82 18.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.914 ' HB3' ' O ' ' A' ' 209' ' ' ALA . . . -72.42 -57.96 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 214' ' ' LEU . . . . . 1.086 HD23 ' HB2' ' A' ' 416' ' ' ALA . 11.8 tp -56.78 -55.55 32.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 215' ' ' ALA . . . . . 0.539 ' HA ' HD11 ' A' ' 386' ' ' ILE . . . -42.36 -67.61 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 216' ' ' LYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -51.96 -28.31 16.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 217' ' ' HIS . . . . . 0.586 ' O ' ' N ' ' A' ' 220' ' ' ASP . 33.0 t60 -73.27 -73.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.644 ' O ' ' HB2' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -36.89 -50.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 219' ' ' TYR . . . . . 0.717 ' HD1' ' HB3' ' A' ' 385' ' ' ALA . 19.1 t80 -70.54 -32.61 70.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 220' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 217' ' ' HIS . 0.7 OUTLIER -61.37 -75.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 221' ' ' SER . . . . . 0.749 ' CB ' ' HB2' ' A' ' 302' ' ' SER . 67.2 m -50.53 -29.07 9.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 222' ' ' TYR . . . . . 0.717 ' CE2' ' HA ' ' A' ' 385' ' ' ALA . 0.6 OUTLIER -71.82 -49.83 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.564 HD11 ' CE2' ' A' ' 219' ' ' TYR . 1.1 mp -52.06 -10.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 224' ' ' LYS . . . . . 0.536 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.1 OUTLIER -94.61 -44.09 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 225' ' ' SER . . . . . 0.63 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 29.5 t -59.36 -77.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 226' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 226' ' ' PHE . 0.0 OUTLIER -113.77 110.09 49.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 227' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.4 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.702 HD11 ' HG ' ' A' ' 340' ' ' LEU . 0.5 OUTLIER -59.46 80.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 229' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 227' ' ' PRO . 15.5 p -83.52 -165.68 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 230' ' ' LYS . . . . . 0.694 ' HD3' HD11 ' A' ' 384' ' ' LEU . 0.2 OUTLIER -75.36 -27.81 59.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 231' ' ' ALA . . . . . 0.764 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -76.14 -39.78 54.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 232' ' ' LYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 236' ' ' ILE . 1.4 mttp -73.04 -40.56 65.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 233' ' ' ALA . . . . . 0.869 ' HB1' HD23 ' A' ' 340' ' ' LEU . . . -68.05 -47.75 67.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.654 ' NE ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -77.07 1.29 18.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 235' ' ' ALA . . . . . 0.877 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -87.48 -69.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.583 ' CD1' ' O ' ' A' ' 232' ' ' LYS . 0.0 OUTLIER -61.45 -37.55 78.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 237' ' ' LEU . . . . . 0.719 ' HG ' HD21 ' A' ' 340' ' ' LEU . 26.6 mt -51.73 -34.1 37.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 238' ' ' THR . . . . . 0.736 ' O ' ' N ' ' A' ' 240' ' ' LYS . 1.9 t -161.98 -35.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 239' ' ' GLY . . . . . 0.877 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -14.49 -49.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 240' ' ' LYS . . . . . 0.765 ' O ' HG22 ' A' ' 241' ' ' THR . 0.0 OUTLIER 148.11 -88.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.753 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 241' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 240' ' ' LYS . 8.8 t 51.31 46.04 27.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.365 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.605 ' O ' HG23 ' A' ' 242' ' ' THR . 0.4 OUTLIER 53.19 15.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.382 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 243' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 242' ' ' THR . 0.0 OUTLIER 81.91 0.18 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 244' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' A' ' 241' ' ' THR . 0.1 OUTLIER -38.0 -49.32 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 245' ' ' SER . . . . . . . . . . . . . 6.1 m 73.58 146.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 246' ' ' PRO . . . . . 0.763 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo -74.99 111.21 3.27 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 247' ' ' PHE . . . . . 0.615 ' C ' ' O ' ' A' ' 246' ' ' PRO . 14.4 t80 -14.22 75.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 0.763 ' N ' ' O ' ' A' ' 246' ' ' PRO . 1.5 m -58.84 101.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 249' ' ' ILE . . . . . 0.708 ' O ' HG23 ' A' ' 349' ' ' THR . 0.7 OUTLIER -74.47 100.55 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 250' ' ' TYR . . . . . 0.644 ' CB ' HG21 ' A' ' 349' ' ' THR . 0.2 OUTLIER -158.93 -37.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 251' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 250' ' ' TYR . 1.7 p30 -68.23 153.5 43.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 252' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.72 -39.75 8.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -57.1 -56.77 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 254' ' ' SER . . . . . 0.51 ' CB ' ' HA ' ' A' ' 249' ' ' ILE . 0.1 OUTLIER -51.85 -51.93 53.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.031 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 255' ' ' LEU . . . . . 0.623 HD12 ' CE2' ' A' ' 352' ' ' PHE . 3.9 tt -44.53 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 256' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -67.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 257' ' ' MET . . . . . 0.695 ' O ' ' N ' ' A' ' 261' ' ' LYS . 4.1 mtt -39.39 -79.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 258' ' ' GLY . . . . . 0.5 ' N ' ' HD3' ' A' ' 261' ' ' LYS . . . -34.7 -72.38 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.57 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 0.9 OUTLIER -40.52 -26.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 110.318 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 260' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 257' ' ' MET . 0.1 OUTLIER -96.09 -44.12 7.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 261' ' ' LYS . . . . . 0.695 ' N ' ' O ' ' A' ' 257' ' ' MET . 0.2 OUTLIER -46.19 -49.38 17.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.602 HG22 ' HG3' ' A' ' 263' ' ' LYS . 10.5 mt -52.41 94.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.602 ' HG3' HG22 ' A' ' 262' ' ' ILE . 2.9 mttt 88.56 -51.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 264' ' ' PHE . . . . . 0.427 ' O ' ' C ' ' A' ' 265' ' ' LYS . 72.1 t80 57.27 156.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 264' ' ' PHE . 2.6 tttp 38.18 55.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.6 30.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.57 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 19.2 mm -87.33 134.28 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 268' ' ' THR . . . . . 1.022 HG22 ' HG ' ' A' ' 270' ' ' LEU . 0.5 OUTLIER -151.57 174.68 3.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 269' ' ' PRO . . . . . 0.792 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.3 Cg_endo -74.97 53.48 3.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 1.022 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.0 OUTLIER -84.6 -89.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 271' ' ' GLN . . . . . 0.641 ' C ' ' O ' ' A' ' 270' ' ' LEU . 4.8 pt20 -13.28 93.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 272' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 270' ' ' LEU . 22.4 tt0 -63.22 87.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 273' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 40.48 67.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 274' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 275' ' ' LYS . 0.4 OUTLIER -123.96 -66.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.999 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 274' ' ' SER . 0.0 OUTLIER 39.04 43.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 276' ' ' GLU . . . . . 0.744 ' CG ' ' H ' ' A' ' 278' ' ' ALA . 4.6 tt0 -97.13 142.36 29.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 277' ' ' VAL . . . . . 0.909 ' O ' HD22 ' A' ' 356' ' ' LEU . 2.3 t -66.33 -16.44 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 278' ' ' ALA . . . . . 0.788 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -86.48 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 0.843 ' O ' HD13 ' A' ' 279' ' ' ILE . 0.1 OUTLIER -36.51 -38.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 280' ' ' ARG . . . . . 0.624 ' HG3' ' H ' ' A' ' 281' ' ' ILE . 0.0 OUTLIER -76.56 -48.12 20.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 281' ' ' ILE . . . . . 0.717 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.1 OUTLIER -74.5 -44.79 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 282' ' ' PHE . . . . . 0.788 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.6 OUTLIER -50.78 -45.36 59.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 283' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 284' ' ' GLY . 12.5 pt20 -69.45 -34.3 74.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 284' ' ' GLY . . . . . 0.483 ' N ' ' HG3' ' A' ' 283' ' ' GLN . . . -84.24 -56.53 2.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 285' ' ' CYS . . . . . 0.717 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.0 OUTLIER -54.74 -16.35 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 286' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 4.4 tm0? -103.32 -27.98 12.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 287' ' ' PHE . . . . . 0.8 ' O ' HG22 ' A' ' 290' ' ' VAL . 29.0 t80 -51.48 -45.37 62.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -22.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 289' ' ' SER . . . . . 0.57 ' O ' HG12 ' A' ' 293' ' ' VAL . 0.3 OUTLIER -80.04 -54.2 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.023 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 290' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 287' ' ' PHE . 3.5 m -50.94 -22.46 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 291' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 294' ' ' GLN . 57.2 mt-10 -84.11 -59.76 2.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 292' ' ' ALA . . . . . 0.684 ' HB3' ' CD1' ' A' ' 326' ' ' ILE . . . -34.67 -56.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.245 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 293' ' ' VAL . . . . . 0.657 HG23 ' C ' ' A' ' 476' ' ' LEU . 0.3 OUTLIER -39.59 -45.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.15 -27.63 59.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 295' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 292' ' ' ALA . 10.5 mm-40 -76.55 -50.13 14.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 296' ' ' ILE . . . . . 0.977 HG21 HD21 ' A' ' 318' ' ' LEU . 2.3 mp -46.98 -65.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 297' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -37.36 -62.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.31 -27.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 299' ' ' TYR . . . . . 0.774 ' O ' ' HB2' ' A' ' 302' ' ' SER . 1.0 OUTLIER -105.5 -36.35 7.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 1.013 ' HB1' ' CE2' ' A' ' 306' ' ' PHE . . . -53.47 -54.56 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -49.89 -0.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 302' ' ' SER . . . . . 0.774 ' HB2' ' O ' ' A' ' 299' ' ' TYR . 8.6 t -71.2 -41.19 70.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 303' ' ' ILE . . . . . 0.968 HG21 HD21 ' A' ' 413' ' ' LEU . 0.5 OUTLIER -69.82 124.32 90.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 45.91 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.462 1.77 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 305' ' ' GLY . . . . . 0.568 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -159.29 -29.1 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 1.013 ' CE2' ' HB1' ' A' ' 300' ' ' ALA . 2.7 t80 -56.48 -61.08 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -22.35 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -75.43 -13.76 60.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.839 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.9 mt -67.47 -108.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 310' ' ' ASP . . . . . 0.774 ' HB3' ' HB2' ' A' ' 313' ' ' ASP . 8.7 t70 -146.91 155.13 42.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 311' ' ' LEU . . . . . 0.506 HD23 ' H ' ' A' ' 311' ' ' LEU . 0.1 OUTLIER -53.37 -48.39 68.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 312' ' ' ASN . . . . . 0.902 ' HB2' HD11 ' A' ' 401' ' ' LEU . 15.2 m120 -81.21 -58.87 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 313' ' ' ASP . . . . . 1.113 ' OD2' HD11 ' A' ' 406' ' ' ILE . 6.3 t0 -36.52 -46.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 314' ' ' GLN . . . . . 0.669 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 7.3 mt-30 -61.57 -60.46 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 315' ' ' VAL . . . . . 0.977 HG13 HD13 ' A' ' 476' ' ' LEU . 2.6 t -54.73 -48.31 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.736 HG21 ' C ' ' A' ' 399' ' ' GLY . 3.0 m -44.32 -55.26 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 317' ' ' LEU . . . . . 0.968 HD11 HD21 ' A' ' 400' ' ' LEU . 0.0 OUTLIER -48.5 -55.51 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 318' ' ' LEU . . . . . 0.977 HD21 HG21 ' A' ' 296' ' ' ILE . 0.2 OUTLIER -60.23 -43.41 96.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.621 ' NZ ' ' O ' ' A' ' 473' ' ' TYR . 0.7 OUTLIER -45.1 -29.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 320' ' ' TYR . . . . . 0.481 ' CB ' ' HB3' ' A' ' 397' ' ' ARG . 1.9 t80 -131.97 4.98 4.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 321' ' ' GLY . . . . . 0.782 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -103.92 -47.48 1.26 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 322' ' ' VAL . . . . . 0.951 ' HB ' HD23 ' A' ' 318' ' ' LEU . 2.7 p -44.59 -24.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 323' ' ' HIS . . . . . 0.512 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 15.2 m80 -66.14 -58.7 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.563 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 324' ' ' GLU . . . . . 0.883 ' HA ' HD12 ' A' ' 442' ' ' LEU . 2.8 mt-10 -70.31 6.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 325' ' ' ILE . . . . . 0.872 ' O ' HG22 ' A' ' 328' ' ' THR . 1.1 mp -106.6 -46.67 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 326' ' ' ILE . . . . . 0.828 HD11 HG22 ' A' ' 322' ' ' VAL . 10.6 mt -79.3 -39.64 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.759 ' CD2' HG22 ' A' ' 446' ' ' VAL . 27.4 m-85 -76.71 -20.91 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 328' ' ' THR . . . . . 0.876 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 6.5 t -72.52 -56.89 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.555 ' N ' ' CG2' ' A' ' 328' ' ' THR . 13.7 ptt? -78.86 -21.48 47.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.62 ' O ' ' N ' ' A' ' 333' ' ' LEU . 2.3 mt -51.3 -57.27 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 331' ' ' ALA . . . . . 1.033 ' HB2' ' CE2' ' A' ' 370' ' ' PHE . . . -32.58 -50.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 332' ' ' SER . . . . . 0.654 ' O ' ' NE ' ' A' ' 234' ' ' ARG . 69.1 m -60.91 -45.8 93.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.053 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.695 HD13 ' N ' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -70.98 13.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 334' ' ' MET . . . . . 0.696 ' HB2' ' O ' ' A' ' 331' ' ' ALA . 3.2 mmt -94.49 170.46 9.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 335' ' ' ASN . . . . . 0.56 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 0.8 OUTLIER -145.68 165.26 29.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 336' ' ' LYS . . . . . 0.56 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -40.07 -51.8 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 337' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 5.7 m-20 -143.62 42.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 338' ' ' GLY . . . . . 0.776 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -163.93 175.84 40.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 339' ' ' VAL . . . . . 0.733 ' O ' HG23 ' A' ' 341' ' ' ILE . 7.4 p -143.41 132.96 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 0.869 HD23 ' HB1' ' A' ' 233' ' ' ALA . 0.4 OUTLIER -53.71 128.9 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 341' ' ' ILE . . . . . 0.733 HG23 ' O ' ' A' ' 339' ' ' VAL . 3.1 pt -128.8 127.23 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 342' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 345' ' ' GLN . 0.6 OUTLIER 46.22 103.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.003 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.569 ' CB ' HD23 ' A' ' 228' ' ' LEU . 5.0 pm0 -43.99 -32.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -95.05 29.38 9.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 345' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 342' ' ' SER . 8.3 tp-100 -135.81 -103.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 346' ' ' GLY . . . . . 0.537 ' HA3' ' CA ' ' A' ' 247' ' ' PHE . . . -161.43 -108.49 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 0.67 ' HA ' HG23 ' A' ' 341' ' ' ILE . 0.3 OUTLIER -170.65 149.3 3.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 110.974 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.603 ' H ' HG23 ' A' ' 341' ' ' ILE . 0.0 OUTLIER -96.8 121.86 39.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 349' ' ' THR . . . . . 0.776 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 1.3 p -69.6 150.81 46.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 350' ' ' ARG . . . . . 0.824 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 25.6 ttp180 -65.33 -52.93 50.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 351' ' ' GLU . . . . . 0.595 ' O ' ' CB ' ' A' ' 355' ' ' SER . 0.8 OUTLIER -39.9 -23.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 352' ' ' PHE . . . . . 0.623 ' CE2' HD12 ' A' ' 255' ' ' LEU . 0.5 OUTLIER -87.04 -61.29 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 353' ' ' LEU . . . . . 0.719 ' HA ' HD21 ' A' ' 356' ' ' LEU . 0.3 OUTLIER -68.19 -24.55 64.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 354' ' ' LYS . . . . . 0.75 ' HA ' ' O ' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -91.44 -19.74 22.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 355' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 0.0 OUTLIER -55.99 -42.81 76.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.979 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 356' ' ' LEU . . . . . 1.108 HD12 ' HA2' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -41.68 175.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 357' ' ' ARG . . . . . 0.696 ' HG3' ' C ' ' A' ' 360' ' ' PHE . 0.6 OUTLIER -34.55 129.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 358' ' ' LYS . . . . . 0.801 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -31.78 -53.5 0.5 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.801 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.01 -90.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 360' ' ' PHE . . . . . 1.206 ' CE1' HD13 ' A' ' 456' ' ' ILE . 2.9 m-85 -67.84 39.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 361' ' ' GLY . . . . . 1.108 ' HA2' HD12 ' A' ' 356' ' ' LEU . . . -138.65 22.15 3.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 362' ' ' ASP . . . . . 0.55 ' OD1' ' O ' ' A' ' 358' ' ' LYS . 0.0 OUTLIER -172.03 72.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 363' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -97.09 6.73 48.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 364' ' ' MET . . . . . 0.549 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 1.1 ttt -121.07 -6.28 9.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 365' ' ' GLU . . . . . 0.824 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 4.6 tp10 -58.61 -38.3 63.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.96 -18.97 18.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 367' ' ' LYS . . . . . 0.634 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 25.1 mttp -77.1 -47.86 19.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 368' ' ' PHE . . . . . 0.679 ' CE1' ' HB ' ' A' ' 339' ' ' VAL . 4.3 m-30 -58.45 -48.38 80.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 369' ' ' GLU . . . . . 0.655 ' O ' HG12 ' A' ' 372' ' ' VAL . 4.5 tt0 -60.64 -46.81 88.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 370' ' ' PHE . . . . . 1.033 ' CE2' ' HB2' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -60.07 -35.73 75.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 371' ' ' ALA . . . . . 0.897 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -66.74 -60.72 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 372' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 369' ' ' GLU . 4.3 p -50.38 -20.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 373' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -95.52 -26.5 15.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 374' ' ' PHE . . . . . 0.696 ' CZ ' ' HG3' ' A' ' 438' ' ' LYS . 0.2 OUTLIER -87.04 -41.52 13.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 375' ' ' ASN . . . . . 0.518 ' OD1' ' C ' ' A' ' 371' ' ' ALA . 3.1 m120 -55.24 -16.95 3.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -90.64 35.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 1.0 OUTLIER -173.71 4.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 378' ' ' GLU . . . . . 0.743 ' O ' HD23 ' A' ' 379' ' ' LEU . 1.1 mt-10 -80.18 -174.19 4.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 378' ' ' GLU . 22.2 mt -134.26 -126.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 380' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 382' ' ' SER . 56.8 p30 -116.84 140.23 49.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 381' ' ' ASP . . . . . 0.836 ' HA ' HD12 ' A' ' 384' ' ' LEU . 60.4 m-20 -27.05 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 382' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 380' ' ' ASP . 0.3 OUTLIER -46.51 -68.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 383' ' ' ASP . . . . . 0.406 ' OD2' ' CB ' ' A' ' 379' ' ' LEU . 8.7 m-20 -58.93 -25.25 63.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 381' ' ' ASP . 10.5 mt -75.02 -53.3 9.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 385' ' ' ALA . . . . . 0.717 ' HB3' ' HD1' ' A' ' 219' ' ' TYR . . . -66.57 17.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.694 ' H ' ' C ' ' A' ' 384' ' ' LEU . 3.1 mm -118.69 -67.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 387' ' ' PHE . . . . . 1.099 ' O ' HG22 ' A' ' 390' ' ' VAL . 0.3 OUTLIER -50.26 -31.39 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 388' ' ' ILE . . . . . 0.599 HG12 HG13 ' A' ' 325' ' ' ILE . 0.0 OUTLIER -53.03 -48.4 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 389' ' ' ALA . . . . . 0.448 ' O ' HD13 ' A' ' 413' ' ' LEU . . . -62.9 -33.12 74.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 1.099 HG22 ' O ' ' A' ' 387' ' ' PHE . 0.9 OUTLIER -67.32 -23.6 30.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.86 HG22 HD12 ' A' ' 325' ' ' ILE . 68.0 mt -79.94 -22.54 11.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 392' ' ' ILE . . . . . 0.746 ' CG2' ' CE1' ' A' ' 306' ' ' PHE . 7.0 mm -75.86 -56.21 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.775 ' CD1' ' HB ' ' A' ' 409' ' ' ILE . 4.1 mm? -66.63 35.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 394' ' ' SER . . . . . 0.678 ' H ' ' C ' ' A' ' 392' ' ' ILE . 75.2 m -86.95 93.9 9.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 395' ' ' GLY . . . . . 0.574 ' N ' ' CG2' ' A' ' 406' ' ' ILE . . . -74.31 63.03 2.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 0.0 111.069 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 396' ' ' ASP . . . . . 0.409 ' C ' ' HD3' ' A' ' 397' ' ' ARG . 1.3 t70 -149.35 18.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 397' ' ' ARG . . . . . 0.547 ' HG3' ' HA ' ' A' ' 317' ' ' LEU . 4.0 mmt180 -95.68 155.76 38.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 398' ' ' PRO . . . . . 0.572 ' O ' HG23 ' A' ' 316' ' ' THR . 18.2 Cg_endo -75.01 128.04 11.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 399' ' ' GLY . . . . . 0.736 ' C ' HG21 ' A' ' 316' ' ' THR . . . 91.62 37.3 6.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 1.095 HD23 ' OD1' ' A' ' 313' ' ' ASP . 0.2 OUTLIER -87.96 139.92 30.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.902 HD11 ' HB2' ' A' ' 312' ' ' ASN . 17.9 mt -97.69 -68.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 402' ' ' ASN . . . . . 1.333 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 18.1 m-20 -110.07 83.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 403' ' ' VAL . . . . . 0.932 ' HA ' HD13 ' A' ' 406' ' ' ILE . 1.2 t -69.18 -3.11 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.664 ' N ' ' CD ' ' A' ' 405' ' ' PRO . 3.0 mtmt -79.45 -42.91 1.61 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 405' ' ' PRO . . . . . 1.333 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -24.16 13.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 406' ' ' ILE . . . . . 1.267 ' CD1' ' O ' ' A' ' 402' ' ' ASN . 4.1 mp -70.51 -51.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.2 -18.33 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 408' ' ' ASP . . . . . 0.558 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 93.4 m-20 -79.25 -58.11 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 409' ' ' ILE . . . . . 0.775 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 20.3 mm -58.03 -25.15 25.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 410' ' ' GLN . . . . . 0.761 ' OE1' HD11 ' A' ' 414' ' ' LEU . 0.0 OUTLIER -71.14 -43.97 66.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -46.97 -25.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 410' ' ' GLN . 1.0 OUTLIER -86.58 -50.63 6.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.968 HD21 HG21 ' A' ' 303' ' ' ILE . 2.7 mt -54.31 -41.45 69.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.825 HD12 ' HB ' ' A' ' 390' ' ' VAL . 9.1 mp -60.36 -46.16 90.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.635 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 40.6 mt-30 -51.96 -57.61 8.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 1.086 ' HB2' HD23 ' A' ' 214' ' ' LEU . . . -46.25 -50.6 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 0.974 HD22 ' C ' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -46.15 -82.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 418' ' ' GLU . . . . . 0.891 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.9 OUTLIER -56.01 -17.09 5.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 1.187 ' CD1' HD22 ' A' ' 211' ' ' LEU . 0.3 OUTLIER -68.58 -82.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 420' ' ' GLN . . . . . 0.768 ' N ' HD23 ' A' ' 419' ' ' LEU . 0.0 OUTLIER -60.83 -5.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.853 HD22 ' O ' ' A' ' 421' ' ' LEU . 0.1 OUTLIER -88.5 -54.29 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 422' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 418' ' ' GLU . 0.0 OUTLIER -78.83 9.91 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.661 ' CD1' HD21 ' A' ' 211' ' ' LEU . 12.1 mt -118.59 -39.84 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.628 ' CG ' ' CD2' ' A' ' 425' ' ' HIS . 42.1 p-10 -82.3 -13.44 56.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.747 ' CE1' HD23 ' A' ' 421' ' ' LEU . 33.0 p80 172.37 76.41 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.52 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.98 153.67 42.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 428' ' ' SER . 29.8 tt0 175.5 134.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 428' ' ' SER . . . . . 0.622 ' CB ' HD23 ' A' ' 431' ' ' LEU . 0.3 OUTLIER 87.17 -148.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 3.0 p -124.87 -77.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' GLN . . . . . 0.578 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -97.58 26.92 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 431' ' ' LEU . . . . . 0.622 HD23 ' CB ' ' A' ' 428' ' ' SER . 0.2 OUTLIER -39.01 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 432' ' ' PHE . . . . . 0.74 ' CD1' ' C ' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -85.45 -49.25 8.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 433' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -44.17 -23.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.579 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 1.2 ptpm? -99.72 -47.76 4.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' LEU . . . . . 0.516 ' HA ' ' CE ' ' A' ' 438' ' ' LYS . 0.4 OUTLIER -37.51 -38.8 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' A' ' 439' ' ' MET . 50.9 mt -78.88 -48.78 14.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' GLN . . . . . 0.65 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 2.0 mm-40 -42.12 -17.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.696 ' HG3' ' CZ ' ' A' ' 374' ' ' PHE . 0.2 OUTLIER -52.43 -25.98 11.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 439' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 0.0 OUTLIER -25.85 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.642 ' O ' ' N ' ' A' ' 444' ' ' GLN . 73.1 p -30.85 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.521 ' O ' HG13 ' A' ' 445' ' ' ILE . 1.3 m-20 -41.05 -25.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 324' ' ' GLU . 0.5 OUTLIER -75.83 -82.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 443' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 439' ' ' MET . 1.2 ttt180 -58.25 -25.62 61.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.841 ' O ' HG22 ' A' ' 447' ' ' THR . 0.0 OUTLIER -71.55 -73.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 1.114 HG22 ' CE1' ' A' ' 449' ' ' HIS . 25.4 mt -49.09 -27.83 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.759 HG22 ' CD2' ' A' ' 327' ' ' TYR . 1.2 t -60.48 -71.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 444' ' ' GLN . 4.3 t -40.66 -28.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 446' ' ' VAL . 1.2 mm-40 -77.24 -53.74 7.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' HIS . . . . . 1.114 ' CE1' HG22 ' A' ' 445' ' ' ILE . 33.9 m170 -43.83 -27.39 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' VAL . . . . . 0.849 HG12 ' HB2' ' A' ' 454' ' ' GLN . 11.4 t -80.83 -57.71 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 451' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 450' ' ' VAL . 0.4 OUTLIER -36.74 -29.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 450' ' ' VAL . 6.1 mt -82.22 -75.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 457' ' ' LYS . 2.7 pp -58.91 -13.44 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 454' ' ' GLN . . . . . 0.849 ' HB2' HG12 ' A' ' 450' ' ' VAL . 0.2 OUTLIER -80.72 -51.34 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 455' ' ' VAL . 53.2 t -70.97 -5.17 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 1.206 HD13 ' CE1' ' A' ' 360' ' ' PHE . 1.0 OUTLIER -105.04 -59.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.624 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 13.0 pttt -49.32 -20.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.655 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -101.03 -39.44 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 459' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 459' ' ' THR . 2.2 m -132.3 48.34 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.801 ' N ' ' O ' ' A' ' 456' ' ' ILE . 3.1 mm-40 -42.89 167.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.3 OUTLIER -67.5 -23.16 65.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 462' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.9 OUTLIER 171.66 59.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 463' ' ' MET . . . . . 0.447 ' HB3' ' O ' ' A' ' 462' ' ' ASP . 0.0 OUTLIER 65.2 118.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 171.47 92.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.589 ' HA ' ' CE1' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -174.57 -145.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 466' ' ' HIS . . . . . 0.972 ' CG ' ' HD2' ' A' ' 467' ' ' PRO . 3.0 t-80 -117.18 156.71 48.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.619 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 467' ' ' PRO . . . . . 0.972 ' HD2' ' CG ' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.98 129.72 12.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 467' ' ' PRO . 0.2 OUTLIER 83.22 4.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.658 HD23 ' H ' ' A' ' 473' ' ' TYR . 0.8 OUTLIER 80.32 69.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.705 ' HA ' ' CG ' ' A' ' 466' ' ' HIS . 12.9 pt20 47.31 52.06 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 471' ' ' GLU . . . . . 0.554 ' H ' ' CE1' ' A' ' 466' ' ' HIS . 38.4 mt-10 61.42 32.67 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 472' ' ' ILE . . . . . 0.509 ' O ' ' C ' ' A' ' 473' ' ' TYR . 0.3 OUTLIER 67.42 82.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 473' ' ' TYR . . . . . 0.658 ' H ' HD23 ' A' ' 469' ' ' LEU . 53.3 t80 28.6 42.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 474' ' ' LYS . . . . . 0.642 ' HD3' HD23 ' A' ' 476' ' ' LEU . 0.2 OUTLIER -35.31 -88.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 475' ' ' ASP . . . . . 0.607 ' OD1' HG13 ' A' ' 322' ' ' VAL . 6.4 t0 26.63 66.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.977 HD13 HG13 ' A' ' 315' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' A' ' 208' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 208' ' ' SER . . . . . 0.678 ' O ' ' C ' ' A' ' 209' ' ' ALA . 4.5 m -26.33 -70.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 1.124 ' O ' ' HB3' ' A' ' 213' ' ' ALA . . . 11.82 -117.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 210' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 214' ' ' LEU . 48.3 m-20 -88.99 -12.05 42.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 1.028 ' CD1' HD11 ' A' ' 419' ' ' LEU . 0.2 OUTLIER -43.89 -83.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 212' ' ' ARG . . . . . 0.515 ' N ' HD12 ' A' ' 211' ' ' LEU . 0.2 OUTLIER -91.17 -9.48 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 1.124 ' HB3' ' O ' ' A' ' 209' ' ' ALA . . . -76.63 -59.92 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 214' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 416' ' ' ALA . 2.9 tp -57.48 -51.54 69.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -43.8 -63.42 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 216' ' ' LYS . . . . . 0.632 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -52.88 -27.02 16.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 217' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 220' ' ' ASP . 16.4 t60 -70.94 -72.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 109.588 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.674 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 0.3 OUTLIER -34.49 -53.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 219' ' ' TYR . . . . . 0.648 ' CE1' ' CD1' ' A' ' 223' ' ' ILE . 15.2 t80 -68.67 -35.66 77.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 220' ' ' ASP . . . . . 0.632 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 0.4 OUTLIER -59.66 -74.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 221' ' ' SER . . . . . 0.713 ' CB ' ' CB ' ' A' ' 302' ' ' SER . 33.0 p -52.31 -25.51 9.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 222' ' ' TYR . . . . . 0.736 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 30.0 t80 -73.29 -55.57 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.648 ' CD1' ' CE1' ' A' ' 219' ' ' TYR . 0.9 OUTLIER -48.88 -12.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 224' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.5 OUTLIER -93.21 -45.36 7.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 225' ' ' SER . . . . . 0.743 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 47.7 t -39.48 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 226' ' ' PHE . . . . . 0.68 ' CD1' ' OE1' ' A' ' 295' ' ' GLU . 1.3 t80 -141.2 144.82 36.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 227' ' ' PRO . . . . . 0.652 ' HD2' ' CD1' ' A' ' 226' ' ' PHE . 18.3 Cg_endo -74.96 -40.27 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.532 1.806 . . . . 0.0 111.041 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.881 HD12 ' HG ' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -60.83 115.48 3.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 229' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 227' ' ' PRO . 44.3 p -135.38 -161.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 230' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -83.04 -27.79 30.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 231' ' ' ALA . . . . . 0.837 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -78.63 -40.51 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 232' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 235' ' ' ALA . 1.5 mttm -75.53 -41.36 55.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 233' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 237' ' ' LEU . . . -66.13 -51.08 61.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.908 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -74.7 -5.09 41.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 235' ' ' ALA . . . . . 0.906 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -73.57 -67.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.6 HG21 ' HA ' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -63.36 -35.08 70.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 237' ' ' LEU . . . . . 1.058 HD13 HD21 ' A' ' 340' ' ' LEU . 0.2 OUTLIER -59.67 -34.77 73.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 238' ' ' THR . . . . . 0.769 ' O ' ' N ' ' A' ' 240' ' ' LYS . 0.7 OUTLIER -149.78 -41.52 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 239' ' ' GLY . . . . . 0.906 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -15.07 -46.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 240' ' ' LYS . . . . . 0.769 ' N ' ' O ' ' A' ' 238' ' ' THR . 0.0 OUTLIER 148.19 -92.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 0.761 . . . . 0.0 109.267 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 241' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 240' ' ' LYS . 6.7 t 49.67 51.2 16.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.695 HG22 ' N ' ' A' ' 243' ' ' ASP . 0.4 OUTLIER 68.71 -64.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 243' ' ' ASP . . . . . 0.695 ' N ' HG22 ' A' ' 242' ' ' THR . 47.9 p-10 -135.36 67.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 244' ' ' LYS . . . . . 0.693 ' C ' ' O ' ' A' ' 243' ' ' ASP . 0.0 OUTLIER -7.31 104.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 245' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 236' ' ' ILE . 3.4 m -179.76 105.4 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 246' ' ' PRO . . . . . 0.83 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo -74.99 133.39 16.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 247' ' ' PHE . . . . . 0.774 ' O ' ' CG ' ' A' ' 247' ' ' PHE . 0.5 OUTLIER -16.0 72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 1.044 HG23 ' CZ ' ' A' ' 347' ' ' PHE . 13.1 p -57.68 138.48 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 249' ' ' ILE . . . . . 0.766 HG21 ' CD1' ' A' ' 341' ' ' ILE . 0.9 OUTLIER -132.95 105.2 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 250' ' ' TYR . . . . . 0.699 ' CB ' HG21 ' A' ' 349' ' ' THR . 0.0 OUTLIER -158.17 16.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 251' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 255' ' ' LEU . 0.7 OUTLIER -128.45 179.2 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 252' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 253' ' ' ASN . 2.4 tmm? -54.08 -67.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 252' ' ' MET . 1.9 m120 -39.07 -66.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 254' ' ' SER . . . . . 0.436 ' CB ' ' HA ' ' A' ' 249' ' ' ILE . 91.4 p -53.55 -53.73 47.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 255' ' ' LEU . . . . . 0.781 HD12 ' CZ ' ' A' ' 352' ' ' PHE . 2.0 tt -45.65 -54.04 8.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 256' ' ' MET . . . . . 0.56 ' O ' ' CB ' ' A' ' 260' ' ' ASP . 22.0 ttt -53.29 -67.92 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 257' ' ' MET . . . . . 0.837 ' O ' ' HB3' ' A' ' 261' ' ' LYS . 0.0 OUTLIER -57.97 -7.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 258' ' ' GLY . . . . . 0.498 ' HA2' ' CD ' ' A' ' 261' ' ' LYS . . . -88.3 -83.68 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 0.2 OUTLIER -55.49 -15.93 3.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 110.268 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 260' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 256' ' ' MET . 45.7 t0 -85.46 -44.73 12.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 261' ' ' LYS . . . . . 0.837 ' HB3' ' O ' ' A' ' 257' ' ' MET . 0.0 OUTLIER -48.49 -35.28 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.493 ' N ' ' HG2' ' A' ' 261' ' ' LYS . 2.8 tt -78.9 -36.93 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -81.47 -82.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 264' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 264' ' ' PHE . 31.4 t80 42.04 34.7 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 265' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.22 143.66 46.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -88.31 156.02 19.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 10.7 mm 63.21 128.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 268' ' ' THR . . . . . 0.977 HG23 ' HD2' ' A' ' 269' ' ' PRO . 1.0 OUTLIER -137.55 152.77 73.54 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 269' ' ' PRO . . . . . 0.977 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.4 Cg_endo -75.01 43.27 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.773 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.801 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.2 OUTLIER -78.08 -101.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 271' ' ' GLN . . . . . 0.508 ' C ' ' O ' ' A' ' 270' ' ' LEU . 9.3 pt20 30.35 89.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 272' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 271' ' ' GLN . 0.4 OUTLIER 86.46 -54.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 273' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -98.32 65.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 78.8 p -64.54 157.01 27.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.472 ' CG ' HG21 ' A' ' 279' ' ' ILE . 0.1 OUTLIER -87.25 115.4 24.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 276' ' ' GLU . . . . . 0.652 ' OE1' ' HB3' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -71.32 146.97 48.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 277' ' ' VAL . . . . . 0.495 ' CG2' ' HB3' ' A' ' 356' ' ' LEU . 6.1 p -34.94 -43.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 278' ' ' ALA . . . . . 0.733 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -59.05 -71.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 0.87 HD11 ' HA ' ' A' ' 465' ' ' LEU . 0.4 OUTLIER -34.11 -33.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 280' ' ' ARG . . . . . 0.557 ' CZ ' ' OE1' ' A' ' 259' ' ' GLU . 0.0 OUTLIER -76.21 -54.03 7.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 281' ' ' ILE . . . . . 0.697 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.6 OUTLIER -76.76 -42.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 282' ' ' PHE . . . . . 0.733 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.7 OUTLIER -54.33 -45.82 72.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 283' ' ' GLN . . . . . 0.469 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 14.0 pt20 -68.77 -34.64 75.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 284' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -82.95 -59.22 2.22 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 285' ' ' CYS . . . . . 0.697 ' N ' ' O ' ' A' ' 281' ' ' ILE . 8.1 p -53.22 -16.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 286' ' ' GLN . . . . . 0.53 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 24.2 tt0 -104.6 -25.26 12.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 287' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 290' ' ' VAL . 26.6 t80 -53.01 -32.06 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -21.48 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 289' ' ' SER . . . . . 0.537 ' O ' HG23 ' A' ' 293' ' ' VAL . 31.1 t -84.76 -56.58 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 290' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.8 m -47.41 -28.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 291' ' ' GLU . . . . . 0.586 ' O ' ' N ' ' A' ' 294' ' ' GLN . 28.1 mt-10 -77.2 -60.86 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 292' ' ' ALA . . . . . 0.781 ' HB1' HG12 ' A' ' 326' ' ' ILE . . . -36.4 -53.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 293' ' ' VAL . . . . . 0.71 ' HA ' HG21 ' A' ' 322' ' ' VAL . 23.4 t -42.75 -40.35 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.586 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.9 mt-30 -77.3 -26.7 52.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 295' ' ' GLU . . . . . 0.68 ' OE1' ' CD1' ' A' ' 226' ' ' PHE . 8.3 mt-10 -78.68 -47.45 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 296' ' ' ILE . . . . . 0.76 HG12 HG21 ' A' ' 325' ' ' ILE . 1.6 mp -51.35 -63.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 297' ' ' THR . . . . . 0.517 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -39.64 -62.53 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 297' ' ' THR . 0.1 OUTLIER -42.77 -26.6 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 299' ' ' TYR . . . . . 0.743 ' HB2' ' HB2' ' A' ' 225' ' ' SER . 0.8 OUTLIER -104.84 -34.38 8.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.965 ' HB1' ' CE2' ' A' ' 306' ' ' PHE . . . -59.04 -54.62 45.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 301' ' ' LYS . . . . . 0.46 ' HG2' HG22 ' A' ' 307' ' ' VAL . 56.6 mttt -53.75 1.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 302' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 300' ' ' ALA . 18.2 p -74.5 -38.96 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 303' ' ' ILE . . . . . 0.896 HG21 HD21 ' A' ' 413' ' ' LEU . 0.7 OUTLIER -64.31 126.56 90.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 46.96 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 305' ' ' GLY . . . . . 0.562 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -162.52 -28.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.965 ' CE2' ' HB1' ' A' ' 300' ' ' ALA . 1.3 t80 -56.84 -60.69 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.749 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 307' ' ' VAL . . . . . 0.46 HG22 ' HG2' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -65.91 -23.21 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -71.82 -15.44 62.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.798 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.2 mt -68.88 -109.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 310' ' ' ASP . . . . . 0.77 ' CG ' HD12 ' A' ' 401' ' ' LEU . 7.2 t70 -141.88 153.28 44.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 311' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 311' ' ' LEU . 0.2 OUTLIER -56.36 -47.09 79.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 312' ' ' ASN . . . . . 0.859 ' HB2' HD11 ' A' ' 401' ' ' LEU . 58.3 m-80 -79.87 -59.3 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 313' ' ' ASP . . . . . 1.003 ' OD1' HD11 ' A' ' 406' ' ' ILE . 22.9 t0 -35.84 -52.01 0.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 314' ' ' GLN . . . . . 0.728 ' HA ' HD21 ' A' ' 317' ' ' LEU . 7.4 mt-30 -57.83 -50.68 72.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 315' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 312' ' ' ASN . 26.3 t -63.15 -47.45 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.897 HG21 ' C ' ' A' ' 399' ' ' GLY . 1.6 m -47.52 -63.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 317' ' ' LEU . . . . . 0.728 HD21 ' HA ' ' A' ' 314' ' ' GLN . 1.0 OUTLIER -46.78 -46.71 20.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 318' ' ' LEU . . . . . 0.874 HD23 ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -64.29 -46.34 84.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 315' ' ' VAL . 4.8 tptt -40.28 -43.33 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 320' ' ' TYR . . . . . 0.57 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 2.5 m-85 -116.38 3.61 13.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 321' ' ' GLY . . . . . 0.708 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -102.06 -54.05 0.93 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 322' ' ' VAL . . . . . 0.874 ' HB ' HD23 ' A' ' 318' ' ' LEU . 1.5 p -41.3 -25.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 323' ' ' HIS . . . . . 0.608 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 21.9 m-70 -71.52 -45.95 61.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 324' ' ' GLU . . . . . 0.769 ' O ' ' HB ' ' A' ' 328' ' ' THR . 5.0 mt-10 -73.7 5.25 4.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 325' ' ' ILE . . . . . 0.814 ' CD1' HG22 ' A' ' 391' ' ' ILE . 1.1 mp -110.62 -47.36 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 326' ' ' ILE . . . . . 0.81 HD11 HG22 ' A' ' 322' ' ' VAL . 3.2 mt -77.01 -39.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.679 ' CD2' HG22 ' A' ' 446' ' ' VAL . 21.5 m-30 -76.73 -22.74 53.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 328' ' ' THR . . . . . 0.947 ' N ' HD11 ' A' ' 442' ' ' LEU . 0.6 OUTLIER -72.43 -60.2 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.635 ' N ' ' CG2' ' A' ' 328' ' ' THR . 19.9 ptt? -73.96 -19.83 60.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.572 ' CG ' ' O ' ' A' ' 326' ' ' ILE . 1.8 mt -49.94 -45.83 51.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 331' ' ' ALA . . . . . 0.8 ' HB1' ' CB ' ' A' ' 371' ' ' ALA . . . -44.3 -54.41 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 332' ' ' SER . . . . . 0.908 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 56.8 m -58.27 -21.49 48.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.017 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.881 ' HG ' HD12 ' A' ' 228' ' ' LEU . 0.0 OUTLIER -94.65 17.51 13.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 334' ' ' MET . . . . . 0.656 ' HG3' ' HA ' ' A' ' 368' ' ' PHE . 5.8 mmt -99.79 178.02 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 335' ' ' ASN . . . . . 0.627 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.8 t-20 -145.67 169.67 18.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 336' ' ' LYS . . . . . 0.755 ' O ' ' CZ ' ' A' ' 368' ' ' PHE . 0.0 OUTLIER -49.94 -46.8 52.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 337' ' ' ASP . . . . . 0.547 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 0.5 OUTLIER -140.59 39.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 338' ' ' GLY . . . . . 0.71 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -169.93 -169.43 33.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 339' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 341' ' ' ILE . 0.1 OUTLIER -153.13 128.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 1.058 HD21 HD13 ' A' ' 237' ' ' LEU . 3.5 mm? -39.2 159.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 341' ' ' ILE . . . . . 0.834 HG23 ' HA ' ' A' ' 347' ' ' PHE . 1.4 pt -156.37 143.97 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 342' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 341' ' ' ILE . 10.3 m -61.42 -131.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.617 ' C ' ' H ' ' A' ' 345' ' ' GLN . 6.9 tp10 47.1 -123.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -69.07 27.6 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 345' ' ' GLN . . . . . 0.617 ' H ' ' C ' ' A' ' 343' ' ' GLU . 0.8 OUTLIER 38.73 81.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 0.0 110.339 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 346' ' ' GLY . . . . . 0.67 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . -141.36 -132.07 2.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 1.044 ' CZ ' HG23 ' A' ' 248' ' ' VAL . 0.3 OUTLIER -168.91 133.55 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.829 ' HB3' HD21 ' A' ' 353' ' ' LEU . 9.0 mmm -88.05 115.75 25.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 349' ' ' THR . . . . . 0.71 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.0 p -61.97 150.49 37.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 350' ' ' ARG . . . . . 0.722 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 2.1 ttm180 -64.23 -51.68 62.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 351' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 355' ' ' SER . 0.0 OUTLIER -45.53 -18.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 352' ' ' PHE . . . . . 0.781 ' CZ ' HD12 ' A' ' 255' ' ' LEU . 0.9 OUTLIER -90.12 -62.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 353' ' ' LEU . . . . . 0.829 HD21 ' HB3' ' A' ' 348' ' ' MET . 0.2 OUTLIER -55.06 -52.77 62.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 354' ' ' LYS . . . . . 0.667 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.2 OUTLIER -61.88 -34.49 76.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 355' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 0.6 OUTLIER -54.01 75.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 356' ' ' LEU . . . . . 0.667 ' N ' ' O ' ' A' ' 354' ' ' LYS . 0.2 OUTLIER 174.27 -166.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 357' ' ' ARG . . . . . 0.608 ' NE ' ' OE1' ' A' ' 276' ' ' GLU . 2.4 mtt180 -26.58 124.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 358' ' ' LYS . . . . . 0.788 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.67 -52.73 1.42 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.788 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.0 -71.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.56 1.821 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 360' ' ' PHE . . . . . 0.712 ' CZ ' ' CD2' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -46.86 -13.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 361' ' ' GLY . . . . . 0.611 ' CA ' HD12 ' A' ' 356' ' ' LEU . . . -107.61 51.05 0.75 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 362' ' ' ASP . . . . . 0.65 ' HA ' ' HG3' ' A' ' 354' ' ' LYS . 1.0 OUTLIER 169.51 61.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 109.245 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 363' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 364' ' ' MET . 0.1 OUTLIER -121.78 -8.73 8.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 364' ' ' MET . . . . . 0.538 ' HB2' ' CE1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -125.52 0.18 7.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 365' ' ' GLU . . . . . 0.722 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 9.0 tp10 -68.0 -37.84 12.53 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.813 ' HB2' HG23 ' A' ' 445' ' ' ILE . 18.4 Cg_endo -74.99 -25.97 11.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 367' ' ' LYS . . . . . 0.594 ' CB ' ' CE ' ' A' ' 334' ' ' MET . 20.3 mtmm -72.28 -48.48 42.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 368' ' ' PHE . . . . . 0.755 ' CZ ' ' O ' ' A' ' 336' ' ' LYS . 0.0 OUTLIER -69.82 -39.67 76.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -58.24 -46.94 85.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 370' ' ' PHE . . . . . 1.06 ' CD2' HD11 ' A' ' 445' ' ' ILE . 0.6 OUTLIER -73.63 -33.01 64.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 371' ' ' ALA . . . . . 0.8 ' CB ' ' HB1' ' A' ' 331' ' ' ALA . . . -55.93 -47.99 76.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 4.7 t -61.18 -14.37 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 373' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -102.89 -25.68 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 374' ' ' PHE . . . . . 0.625 ' CZ ' ' HG3' ' A' ' 438' ' ' LYS . 0.3 OUTLIER -90.58 -35.56 14.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 375' ' ' ASN . . . . . 0.47 ' OD1' ' NE ' ' A' ' 234' ' ' ARG . 2.3 m-80 -55.8 -11.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -86.0 28.7 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 0.8 OUTLIER -160.68 3.68 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 378' ' ' GLU . . . . . 0.433 ' OE1' ' OG ' ' A' ' 332' ' ' SER . 0.2 OUTLIER -81.91 128.31 33.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.811 HD12 ' CG ' ' A' ' 425' ' ' HIS . 0.4 OUTLIER -83.5 -107.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 380' ' ' ASP . . . . . 0.591 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 52.3 p30 -131.11 142.07 50.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 381' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 385' ' ' ALA . 10.4 m-20 -35.75 -29.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 382' ' ' SER . . . . . 0.61 ' HA ' ' CD1' ' A' ' 219' ' ' TYR . 62.1 m -57.29 -67.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 383' ' ' ASP . . . . . 0.538 ' OD1' ' NE2' ' A' ' 420' ' ' GLN . 1.7 m-20 -58.26 -31.7 67.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.674 ' O ' ' CD2' ' A' ' 387' ' ' PHE . 9.4 mt -71.23 -58.52 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 385' ' ' ALA . . . . . 0.713 ' HB1' ' CG ' ' A' ' 222' ' ' TYR . . . -33.91 -38.59 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.471 ' O ' ' C ' ' A' ' 387' ' ' PHE . 2.6 mt -64.37 -59.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 387' ' ' PHE . . . . . 0.945 ' CE1' HG21 ' A' ' 328' ' ' THR . 0.1 OUTLIER -31.22 -47.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 388' ' ' ILE . . . . . 0.945 ' N ' ' CD1' ' A' ' 387' ' ' PHE . 0.2 OUTLIER -39.52 -66.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 389' ' ' ALA . . . . . 0.734 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -56.33 -27.79 56.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.912 HG22 ' NE2' ' A' ' 410' ' ' GLN . 1.2 t -82.16 3.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.814 HG22 ' CD1' ' A' ' 325' ' ' ILE . 21.0 mm -113.57 -19.97 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 392' ' ' ILE . . . . . 0.702 ' C ' ' H ' ' A' ' 394' ' ' SER . 2.6 pt -93.32 -48.44 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.852 HD23 HD11 ' A' ' 413' ' ' LEU . 1.3 mm? -64.06 15.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 394' ' ' SER . . . . . 0.702 ' H ' ' C ' ' A' ' 392' ' ' ILE . 10.2 m -86.51 106.84 17.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 395' ' ' GLY . . . . . 0.631 ' HA3' HG22 ' A' ' 403' ' ' VAL . . . -81.26 66.71 3.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 396' ' ' ASP . . . . . 0.408 ' OD2' ' NH2' ' A' ' 443' ' ' ARG . 7.5 t0 -114.14 -18.0 11.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 397' ' ' ARG . . . . . 0.582 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -64.14 128.23 92.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 5.44 3.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 399' ' ' GLY . . . . . 0.897 ' C ' HG21 ' A' ' 316' ' ' THR . . . -126.45 34.97 3.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.607 HD13 ' HA2' ' A' ' 395' ' ' GLY . 21.7 mt -91.95 163.16 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.859 HD11 ' HB2' ' A' ' 312' ' ' ASN . 17.5 mt -110.77 -59.77 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 402' ' ' ASN . . . . . 0.775 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 4.5 m-20 -109.95 85.11 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 403' ' ' VAL . . . . . 0.902 ' HA ' HD12 ' A' ' 406' ' ' ILE . 1.0 OUTLIER -78.96 -15.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.618 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -69.15 -49.5 24.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 405' ' ' PRO . . . . . 0.775 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.05 -26.9 10.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 406' ' ' ILE . . . . . 1.003 HD11 ' OD1' ' A' ' 313' ' ' ASP . 56.7 mt -60.3 -81.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -51.17 -21.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 408' ' ' ASP . . . . . 0.618 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 9.0 m-20 -72.03 -53.8 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 409' ' ' ILE . . . . . 0.765 HG22 ' HG ' ' A' ' 393' ' ' LEU . 15.7 mm -58.7 -21.67 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 410' ' ' GLN . . . . . 0.912 ' NE2' HG22 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -73.48 -40.29 64.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.08 -24.58 1.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.83 -57.74 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.896 HD21 HG21 ' A' ' 303' ' ' ILE . 0.2 OUTLIER -51.92 -30.03 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -47.46 59.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.556 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 45.7 mt-30 -47.49 -57.57 5.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.634 ' HB2' HD23 ' A' ' 214' ' ' LEU . . . -56.95 -47.14 81.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 1.058 HD11 ' HB2' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -44.21 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 418' ' ' GLU . . . . . 0.985 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -54.69 -23.15 16.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 1.028 HD11 ' CD1' ' A' ' 211' ' ' LEU . 0.2 OUTLIER -66.55 -82.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 420' ' ' GLN . . . . . 0.584 ' NE2' ' CB ' ' A' ' 382' ' ' SER . 0.0 OUTLIER -55.4 -10.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.533 ' HG ' ' CE1' ' A' ' 425' ' ' HIS . 0.7 OUTLIER -88.68 -50.82 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 422' ' ' LYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 14.5 mtpt -72.08 -3.28 22.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.452 HD12 ' HG ' ' A' ' 419' ' ' LEU . 14.9 mt -102.21 -48.08 4.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.487 ' OD1' ' NE2' ' A' ' 420' ' ' GLN . 3.9 m120 -73.41 -8.69 56.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.811 ' CG ' HD12 ' A' ' 379' ' ' LEU . 0.0 OUTLIER -166.0 69.38 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.617 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.612 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.98 102.89 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 428' ' ' SER . 3.9 tm-20 -172.52 134.08 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 428' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 427' ' ' GLU . 2.7 t 87.37 -152.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 429' ' ' SER . . . . . 0.468 ' C ' ' CG ' ' A' ' 430' ' ' GLN . 8.6 p -148.98 142.09 24.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 430' ' ' GLN . . . . . 0.692 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER 49.07 25.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 27.3 tp -39.94 -29.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' PHE . . . . . 1.058 ' HB2' HD11 ' A' ' 417' ' ' LEU . 37.0 p90 -85.5 -46.94 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 433' ' ' ALA . . . . . 0.692 ' HB3' ' HB2' ' A' ' 430' ' ' GLN . . . -39.49 -27.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.512 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.0 OUTLIER -97.09 -46.86 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 435' ' ' LEU . . . . . 0.782 HD11 HD23 ' A' ' 379' ' ' LEU . 0.4 OUTLIER -45.37 -35.07 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.651 HD21 ' HA ' ' A' ' 433' ' ' ALA . 3.6 pp -76.05 -46.04 31.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 437' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 440' ' ' THR . 1.9 mm-40 -47.75 -12.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.625 ' HG3' ' CZ ' ' A' ' 374' ' ' PHE . 0.0 OUTLIER -49.77 -23.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 439' ' ' MET . . . . . 0.55 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.02 -43.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.695 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 53.7 p -34.14 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.855 ' OD2' HD22 ' A' ' 442' ' ' LEU . 0.0 OUTLIER -41.59 -25.23 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.947 HD11 ' N ' ' A' ' 328' ' ' THR . 2.5 mm? -77.63 -87.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 443' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' A' ' 439' ' ' MET . 21.0 ttm180 -50.26 -22.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.954 ' O ' HG22 ' A' ' 447' ' ' THR . 0.0 OUTLIER -78.97 -75.54 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 1.06 HD11 ' CD2' ' A' ' 370' ' ' PHE . 9.2 mt -54.02 -34.4 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.679 HG22 ' CD2' ' A' ' 327' ' ' TYR . 52.7 t -61.64 -63.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' THR . . . . . 0.954 HG22 ' O ' ' A' ' 444' ' ' GLN . 13.3 t -45.9 -27.15 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 451' ' ' GLN . 40.9 tt0 -73.83 -57.14 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' HIS . . . . . 0.434 ' CB ' ' HZ1' ' A' ' 367' ' ' LYS . 0.0 OUTLIER -42.15 -31.85 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 450' ' ' VAL . . . . . 0.627 ' O ' ' N ' ' A' ' 454' ' ' GLN . 69.3 t -80.67 -44.2 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 451' ' ' GLN . . . . . 0.59 ' O ' HG23 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -48.52 -23.16 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.74 -67.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 457' ' ' LYS . 0.2 OUTLIER -61.14 -18.09 56.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 454' ' ' GLN . . . . . 0.627 ' N ' ' O ' ' A' ' 450' ' ' VAL . 2.5 tt0 -81.46 -49.36 10.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 451' ' ' GLN . 71.1 t -71.82 -4.89 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.86 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.1 OUTLIER -104.65 -61.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.65 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 2.1 ptpp? -41.36 -29.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 1.0 OUTLIER -94.24 -39.28 10.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 459' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -127.22 46.58 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.377 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.86 ' N ' ' O ' ' A' ' 456' ' ' ILE . 3.7 mm-40 -42.87 169.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -71.35 -28.5 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.435 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 462' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.6 OUTLIER 169.13 49.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 463' ' ' MET . . . . . 0.404 ' HB3' ' O ' ' A' ' 462' ' ' ASP . 4.8 ttt 62.96 128.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.459 ' OG ' ' NH2' ' A' ' 357' ' ' ARG . 29.6 p -179.4 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.87 ' HA ' HD11 ' A' ' 279' ' ' ILE . 0.0 OUTLIER 174.16 168.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 466' ' ' HIS . . . . . 1.084 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 15.3 p80 -117.76 -170.58 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 467' ' ' PRO . . . . . 1.084 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.95 -45.76 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.81 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.514 ' O ' ' CG1' ' A' ' 472' ' ' ILE . 1.1 mt -43.6 -20.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.718 ' CD2' ' CE1' ' A' ' 466' ' ' HIS . 12.0 mt -92.89 -55.25 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -47.07 -29.57 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -75.79 -53.16 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 472' ' ' ILE . . . . . 0.514 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.1 mm -45.66 -58.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 473' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 473' ' ' TYR . 0.3 OUTLIER -54.85 -50.79 67.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 175.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.97 161.81 18.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.722 ' O ' ' HB2' ' A' ' 211' ' ' LEU . 3.4 tp10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 208' ' ' SER . . . . . 0.731 ' HA ' ' HB2' ' A' ' 211' ' ' LEU . 4.7 m -84.89 -54.13 4.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.938 ' O ' ' CB ' ' A' ' 213' ' ' ALA . . . -39.02 -50.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 210' ' ' ASP . . . . . 0.868 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 0.0 OUTLIER -82.99 -26.03 31.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 1.154 HD22 ' CD1' ' A' ' 419' ' ' LEU . 0.2 OUTLIER -36.32 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 212' ' ' ARG . . . . . 0.45 ' N ' HD12 ' A' ' 211' ' ' LEU . 0.3 OUTLIER -83.94 -12.7 54.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.938 ' CB ' ' O ' ' A' ' 209' ' ' ALA . . . -72.56 -67.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 214' ' ' LEU . . . . . 1.031 HD23 ' HB2' ' A' ' 416' ' ' ALA . 12.1 tp -53.52 -49.63 67.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -43.46 -67.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 216' ' ' LYS . . . . . 0.795 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -47.55 -31.97 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 217' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 220' ' ' ASP . 17.2 t60 -68.82 -70.34 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.612 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.851 HD23 ' HG ' ' A' ' 214' ' ' LEU . 3.8 mm? -36.82 -50.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 219' ' ' TYR . . . . . 0.853 ' CE1' HD13 ' A' ' 223' ' ' ILE . 93.5 t80 -75.47 -29.26 59.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 220' ' ' ASP . . . . . 0.795 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 4.7 t0 -58.36 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 221' ' ' SER . . . . . 0.726 ' CB ' ' HB2' ' A' ' 302' ' ' SER . 49.4 m -53.34 -27.45 23.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 222' ' ' TYR . . . . . 0.68 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 22.4 t80 -68.85 -53.56 20.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.853 HD13 ' CE1' ' A' ' 219' ' ' TYR . 1.0 OUTLIER -53.33 -11.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 224' ' ' LYS . . . . . 0.678 ' HD2' HG22 ' A' ' 223' ' ' ILE . 1.1 mptp? -92.27 -44.27 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 225' ' ' SER . . . . . 0.704 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 31.1 t -44.04 -71.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 226' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 295' ' ' GLU . 0.0 OUTLIER -130.42 140.41 38.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 227' ' ' PRO . . . . . 1.015 ' O ' HG23 ' A' ' 229' ' ' THR . 18.3 Cg_endo -75.01 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.524 1.802 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.79 HD12 ' CD1' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -51.55 119.88 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 229' ' ' THR . . . . . 1.015 HG23 ' O ' ' A' ' 227' ' ' PRO . 64.7 p -131.62 -165.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 230' ' ' LYS . . . . . 0.511 ' CG ' ' HB3' ' A' ' 332' ' ' SER . 3.8 tmtt? -82.49 -27.09 32.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 231' ' ' ALA . . . . . 0.843 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -80.18 -22.06 42.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 232' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -99.95 -35.39 9.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 233' ' ' ALA . . . . . 0.629 ' O ' ' HB2' ' A' ' 237' ' ' LEU . . . -69.14 -49.14 59.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.748 ' N ' ' HD2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -75.15 -20.76 59.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 235' ' ' ALA . . . . . 0.888 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -60.05 -67.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.97 HD12 ' HB3' ' A' ' 246' ' ' PRO . 0.4 OUTLIER -61.36 -38.83 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 237' ' ' LEU . . . . . 0.95 HD13 HD21 ' A' ' 340' ' ' LEU . 0.3 OUTLIER -53.73 -34.59 59.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 238' ' ' THR . . . . . 0.856 ' O ' ' N ' ' A' ' 240' ' ' LYS . 0.0 OUTLIER -158.4 -38.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 239' ' ' GLY . . . . . 0.888 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -7.48 -51.68 0.0 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 240' ' ' LYS . . . . . 0.856 ' N ' ' O ' ' A' ' 238' ' ' THR . 0.0 OUTLIER 148.49 -83.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 241' ' ' THR . . . . . 0.819 HG22 ' O ' ' A' ' 240' ' ' LYS . 13.9 t 52.41 -166.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.423 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 179.77 -33.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 243' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.56 25.33 7.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 244' ' ' LYS . . . . . 0.53 ' CG ' ' N ' ' A' ' 245' ' ' SER . 0.6 OUTLIER -130.99 -79.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 245' ' ' SER . . . . . 0.53 ' N ' ' CG ' ' A' ' 244' ' ' LYS . 23.2 p 61.23 149.55 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 246' ' ' PRO . . . . . 0.97 ' HB3' HD12 ' A' ' 236' ' ' ILE . 18.4 Cg_endo -74.99 108.03 2.62 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 247' ' ' PHE . . . . . 0.576 ' CB ' ' HA3' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -37.18 71.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 1.106 HG13 ' CZ ' ' A' ' 347' ' ' PHE . 21.4 t -55.52 103.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 249' ' ' ILE . . . . . 0.897 HD12 HD12 ' A' ' 341' ' ' ILE . 1.2 mt -74.07 104.42 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 250' ' ' TYR . . . . . 0.83 ' O ' ' CG ' ' A' ' 250' ' ' TYR . 2.8 t80 158.72 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 251' ' ' ASP . . . . . 0.549 ' O ' HD12 ' A' ' 255' ' ' LEU . 2.1 p-10 -155.28 -178.0 6.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 252' ' ' MET . . . . . 0.494 ' O ' ' CB ' ' A' ' 256' ' ' MET . 0.0 OUTLIER -52.84 -48.29 67.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.54 ' OD1' ' CZ ' ' A' ' 247' ' ' PHE . 27.1 t-20 -57.45 -66.14 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 254' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 258' ' ' GLY . 54.2 p -35.72 -65.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 255' ' ' LEU . . . . . 0.646 ' O ' ' C ' ' A' ' 256' ' ' MET . 1.4 mt -59.81 -81.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 256' ' ' MET . . . . . 0.646 ' C ' ' O ' ' A' ' 255' ' ' LEU . 17.5 ttt -5.39 -66.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 257' ' ' MET . . . . . 0.604 ' N ' ' O ' ' A' ' 255' ' ' LEU . 0.0 OUTLIER -89.02 -48.64 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.046 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 258' ' ' GLY . . . . . 0.753 ' O ' ' CB ' ' A' ' 259' ' ' GLU . . . -23.5 19.62 0.0 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.753 ' CB ' ' O ' ' A' ' 258' ' ' GLY . 31.3 mt-10 117.85 34.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 0.751 . . . . 0.0 110.262 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 260' ' ' ASP . . . . . 0.869 ' O ' ' HB2' ' A' ' 261' ' ' LYS . 0.0 OUTLIER 73.84 33.63 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 261' ' ' LYS . . . . . 0.9 ' O ' HG22 ' A' ' 262' ' ' ILE . 0.0 OUTLIER 95.35 42.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.9 HG22 ' O ' ' A' ' 261' ' ' LYS . 0.3 OUTLIER 60.69 21.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 262' ' ' ILE . 0.0 OUTLIER 88.05 59.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 264' ' ' PHE . . . . . 0.555 ' O ' ' C ' ' A' ' 265' ' ' LYS . 39.1 t80 -123.88 -75.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 264' ' ' PHE . 7.5 tttm 27.74 60.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 266' ' ' HIS . . . . . 0.508 ' O ' ' CZ ' ' A' ' 264' ' ' PHE . 1.4 m-70 165.69 161.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.551 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.67 HG22 ' O ' ' A' ' 267' ' ' ILE . 2.1 mp -131.6 78.36 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 268' ' ' THR . . . . . 1.001 HG23 ' HD2' ' A' ' 269' ' ' PRO . 0.9 OUTLIER -143.06 155.01 62.28 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 269' ' ' PRO . . . . . 1.001 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.2 Cg_endo -74.97 47.89 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.969 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.0 OUTLIER -81.24 -172.4 3.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 271' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 270' ' ' LEU . 0.0 OUTLIER 159.24 85.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.44 87.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 273' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 274' ' ' SER . 15.1 mm-40 -40.03 157.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 274' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 273' ' ' GLN . 0.9 OUTLIER 84.51 -57.73 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.431 ' HA ' HG21 ' A' ' 279' ' ' ILE . 16.7 mtmm -94.94 113.66 25.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 276' ' ' GLU . . . . . 0.698 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 0.3 OUTLIER -112.43 -179.65 3.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 277' ' ' VAL . . . . . 0.849 HG13 ' HB3' ' A' ' 356' ' ' LEU . 2.4 p -56.47 -15.29 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 278' ' ' ALA . . . . . 0.73 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -83.56 -68.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 0.532 HD11 ' O ' ' A' ' 464' ' ' SER . 0.4 OUTLIER -37.63 -31.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 280' ' ' ARG . . . . . 0.563 ' HG2' HD11 ' A' ' 262' ' ' ILE . 11.0 tpt180 -76.97 -55.15 5.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 281' ' ' ILE . . . . . 0.627 HG21 HD21 ' A' ' 356' ' ' LEU . 0.5 OUTLIER -75.51 -43.43 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 282' ' ' PHE . . . . . 0.739 ' CE1' ' CE1' ' A' ' 360' ' ' PHE . 79.6 t80 -53.01 -46.58 68.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 283' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 280' ' ' ARG . 6.4 pt20 -66.94 -34.56 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 284' ' ' GLY . . . . . 0.459 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -81.1 -58.82 2.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 285' ' ' CYS . . . . . 0.563 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.5 OUTLIER -53.7 -15.96 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 286' ' ' GLN . . . . . 0.459 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -105.97 -24.44 12.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 287' ' ' PHE . . . . . 0.572 ' O ' HG22 ' A' ' 290' ' ' VAL . 24.5 t80 -53.65 -32.48 51.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -19.0 61.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 289' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 293' ' ' VAL . 23.9 t -86.88 -55.08 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.005 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 290' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.7 m -49.91 -29.42 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 291' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 294' ' ' GLN . 45.1 mt-10 -78.58 -59.67 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 292' ' ' ALA . . . . . 0.94 ' O ' HD12 ' A' ' 296' ' ' ILE . . . -34.44 -56.24 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 293' ' ' VAL . . . . . 0.768 ' HA ' HG21 ' A' ' 322' ' ' VAL . 54.2 t -39.91 -46.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.6 mt-30 -73.85 -27.32 61.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.237 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 295' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.4 mt-10 -75.73 -50.81 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 296' ' ' ILE . . . . . 0.94 HD12 ' O ' ' A' ' 292' ' ' ALA . 3.3 mp -44.84 -62.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 297' ' ' THR . . . . . 0.453 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -40.23 -61.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.31 -28.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 299' ' ' TYR . . . . . 0.783 ' O ' ' CB ' ' A' ' 302' ' ' SER . 0.8 OUTLIER -103.13 -44.28 5.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.756 ' C ' ' H ' ' A' ' 302' ' ' SER . . . -46.11 -55.48 6.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 301' ' ' LYS . . . . . 0.462 ' HA ' HG22 ' A' ' 307' ' ' VAL . 10.2 mttm -53.42 2.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 302' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 299' ' ' TYR . 16.9 t -74.18 -40.14 62.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.017 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 303' ' ' ILE . . . . . 0.995 ' CG2' HD21 ' A' ' 413' ' ' LEU . 1.3 mt -59.99 128.78 87.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 45.62 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 305' ' ' GLY . . . . . 0.54 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -165.45 -27.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.78 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 55.2 t80 -54.46 -60.1 3.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 307' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.1 OUTLIER -65.11 -22.53 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -75.45 -14.35 60.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.4 mt -68.84 -109.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 310' ' ' ASP . . . . . 0.816 ' CG ' HD12 ' A' ' 401' ' ' LEU . 7.6 t70 -145.01 152.21 39.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.97 -47.7 74.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 312' ' ' ASN . . . . . 0.832 ' HB2' HD11 ' A' ' 401' ' ' LEU . 22.9 m120 -78.56 -57.89 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 313' ' ' ASP . . . . . 0.986 ' OD1' HD11 ' A' ' 406' ' ' ILE . 24.1 t0 -38.37 -53.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 314' ' ' GLN . . . . . 0.577 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 6.4 mt-30 -53.98 -49.72 68.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.72 -49.21 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.893 HG21 ' C ' ' A' ' 399' ' ' GLY . 1.2 m -43.08 -65.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 317' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -45.19 -52.34 9.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 318' ' ' LEU . . . . . 0.905 HD23 ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -56.92 -49.31 75.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -39.68 -42.92 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 320' ' ' TYR . . . . . 0.513 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 6.4 m-85 -113.89 5.97 16.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 321' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -109.35 -52.02 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 322' ' ' VAL . . . . . 0.905 ' HB ' HD23 ' A' ' 318' ' ' LEU . 1.5 p -41.2 -27.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 323' ' ' HIS . . . . . 0.552 ' O ' ' CD1' ' A' ' 327' ' ' TYR . 61.9 m170 -71.73 -45.76 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 324' ' ' GLU . . . . . 0.84 ' HA ' HD12 ' A' ' 442' ' ' LEU . 4.1 mt-10 -74.12 2.97 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 325' ' ' ILE . . . . . 0.973 HD12 HG22 ' A' ' 391' ' ' ILE . 0.8 OUTLIER -105.62 -49.03 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 326' ' ' ILE . . . . . 0.779 HG12 ' HB1' ' A' ' 292' ' ' ALA . 1.6 mt -72.13 -36.8 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.907 ' CD2' HG22 ' A' ' 446' ' ' VAL . 5.7 m-85 -75.83 -29.2 58.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 328' ' ' THR . . . . . 0.925 ' HA ' HD21 ' A' ' 442' ' ' LEU . 0.7 OUTLIER -62.29 -58.87 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.612 ' N ' ' CG2' ' A' ' 328' ' ' THR . 25.7 ptm -79.92 -19.33 48.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.598 ' HB2' ' HA ' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -43.92 -46.81 8.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 331' ' ' ALA . . . . . 1.25 ' HB2' ' CE2' ' A' ' 370' ' ' PHE . . . -48.38 -48.96 36.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 332' ' ' SER . . . . . 0.737 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 0.9 OUTLIER -59.08 -14.66 10.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.79 ' CD1' HD12 ' A' ' 228' ' ' LEU . 2.3 mm? -100.11 18.35 18.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 334' ' ' MET . . . . . 0.716 ' HB2' ' O ' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -93.41 -172.88 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 335' ' ' ASN . . . . . 0.773 ' O ' ' CE1' ' A' ' 368' ' ' PHE . 8.8 t-20 -158.76 169.55 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 336' ' ' LYS . . . . . 0.571 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -55.81 -53.74 53.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 337' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 1.6 m-20 -130.68 37.7 3.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 338' ' ' GLY . . . . . 0.765 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -171.25 -161.69 22.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 339' ' ' VAL . . . . . 0.639 ' O ' HG23 ' A' ' 341' ' ' ILE . 25.8 m -157.0 125.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.779 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 0.95 HD21 HD13 ' A' ' 237' ' ' LEU . 2.2 mm? -36.36 157.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 341' ' ' ILE . . . . . 0.897 HD12 HD12 ' A' ' 249' ' ' ILE . 0.7 OUTLIER -156.84 153.47 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 35.0 m -72.43 -39.84 67.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 345' ' ' GLN . 5.5 mm-40 -43.34 121.5 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 344' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' A' ' 247' ' ' PHE . . . 41.45 25.36 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 345' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 343' ' ' GLU . 67.6 mt-30 43.8 83.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 346' ' ' GLY . . . . . 0.576 ' HA3' ' CB ' ' A' ' 247' ' ' PHE . . . -152.61 -127.4 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 1.106 ' CZ ' HG13 ' A' ' 248' ' ' VAL . 0.1 OUTLIER -169.61 134.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 0.755 . . . . 0.0 110.968 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.811 ' HG2' HD23 ' A' ' 353' ' ' LEU . 30.1 ttm -90.85 121.19 32.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 349' ' ' THR . . . . . 0.765 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.7 p -64.84 146.37 54.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 350' ' ' ARG . . . . . 0.703 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 10.6 ttm180 -53.33 -51.67 61.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 351' ' ' GLU . . . . . 0.559 ' O ' ' CB ' ' A' ' 355' ' ' SER . 1.8 pt-20 -53.25 -14.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 352' ' ' PHE . . . . . 0.493 ' O ' ' HB3' ' A' ' 355' ' ' SER . 7.0 t80 -91.48 -66.96 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 353' ' ' LEU . . . . . 0.811 HD23 ' HG2' ' A' ' 348' ' ' MET . 0.3 OUTLIER -49.9 -54.25 20.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 354' ' ' LYS . . . . . 0.726 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.3 OUTLIER -61.04 -38.9 87.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 355' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 0.3 OUTLIER -50.24 75.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 356' ' ' LEU . . . . . 0.849 ' HB3' HG13 ' A' ' 277' ' ' VAL . 0.3 OUTLIER 176.14 -169.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 357' ' ' ARG . . . . . 0.698 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.6 OUTLIER -18.74 124.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 358' ' ' LYS . . . . . 0.799 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.42 -58.22 0.82 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.799 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.4 Cg_endo -75.0 -67.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 360' ' ' PHE . . . . . 0.739 ' CE1' ' CE1' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -49.11 -9.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 361' ' ' GLY . . . . . 0.676 ' CA ' HD12 ' A' ' 356' ' ' LEU . . . -129.13 53.18 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 362' ' ' ASP . . . . . 0.512 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 14.3 t70 172.9 45.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 363' ' ' PHE . . . . . 1.141 ' CD2' HD13 ' A' ' 452' ' ' LEU . 0.9 OUTLIER -138.88 16.99 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 364' ' ' MET . . . . . 0.839 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 2.4 mpp? -117.47 9.38 13.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 365' ' ' GLU . . . . . 0.92 ' N ' ' CD ' ' A' ' 366' ' ' PRO . 5.9 tp10 -78.82 -18.41 0.27 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.92 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -75.03 -43.19 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.554 1.818 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 367' ' ' LYS . . . . . 0.473 ' O ' ' HE2' ' A' ' 334' ' ' MET . 0.7 OUTLIER -76.94 -37.52 55.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 368' ' ' PHE . . . . . 0.773 ' CE1' ' O ' ' A' ' 335' ' ' ASN . 1.7 t80 -59.17 -58.26 9.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 369' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 373' ' ' LYS . 1.0 OUTLIER -59.57 -57.86 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 370' ' ' PHE . . . . . 1.25 ' CE2' ' HB2' ' A' ' 331' ' ' ALA . 0.1 OUTLIER -36.8 -47.75 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 371' ' ' ALA . . . . . 0.854 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -66.26 -46.72 76.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 372' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 369' ' ' GLU . 54.3 t -56.47 -18.09 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 373' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 369' ' ' GLU . 0.0 OUTLIER -104.78 -23.38 13.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 374' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' A' ' 370' ' ' PHE . 0.8 OUTLIER -91.23 -39.69 11.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 375' ' ' ASN . . . . . 0.482 ' CG ' ' O ' ' A' ' 371' ' ' ALA . 15.3 m120 -52.12 -15.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -87.79 32.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 374' ' ' PHE . 0.7 OUTLIER -175.09 4.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 378' ' ' GLU . . . . . 0.596 ' OE2' ' CB ' ' A' ' 332' ' ' SER . 2.1 mt-10 -69.65 128.15 35.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.625 HD23 ' CD2' ' A' ' 425' ' ' HIS . 0.3 OUTLIER -82.91 -139.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 380' ' ' ASP . . . . . 0.584 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 33.8 p30 -106.51 144.34 33.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 381' ' ' ASP . . . . . 0.647 ' HA ' HD12 ' A' ' 384' ' ' LEU . 12.4 m-20 -35.99 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 382' ' ' SER . . . . . 0.565 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 4.9 m -58.27 -61.43 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 383' ' ' ASP . . . . . 0.496 ' OD2' ' HB3' ' A' ' 379' ' ' LEU . 17.6 m-20 -59.2 -28.5 66.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 381' ' ' ASP . 3.8 mt -75.37 -57.63 3.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 385' ' ' ALA . . . . . 0.606 ' HB2' ' CD2' ' A' ' 222' ' ' TYR . . . -35.7 -47.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.529 HD13 ' HB1' ' A' ' 416' ' ' ALA . 8.9 mt -61.26 -60.2 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 387' ' ' PHE . . . . . 0.649 ' CD2' HD11 ' A' ' 391' ' ' ILE . 3.4 t80 -33.75 -44.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 388' ' ' ILE . . . . . 0.791 ' CG1' HG23 ' A' ' 325' ' ' ILE . 0.4 OUTLIER -48.58 -64.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 389' ' ' ALA . . . . . 0.956 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -48.92 -45.29 41.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.832 HG22 HD12 ' A' ' 414' ' ' LEU . 1.0 OUTLIER -58.57 -25.6 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.973 HG22 HD12 ' A' ' 325' ' ' ILE . 27.7 mt -87.62 -18.51 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 392' ' ' ILE . . . . . 0.763 HG22 HD23 ' A' ' 393' ' ' LEU . 60.5 mt -68.48 -76.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.937 HD11 HG22 ' A' ' 409' ' ' ILE . 0.1 OUTLIER -62.95 92.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 394' ' ' SER . . . . . 0.624 ' O ' ' N ' ' A' ' 396' ' ' ASP . 5.0 m -126.46 87.77 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 395' ' ' GLY . . . . . 0.616 ' HA2' HG22 ' A' ' 403' ' ' VAL . . . -61.44 60.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 396' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 394' ' ' SER . 10.6 t70 -131.86 -23.08 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 397' ' ' ARG . . . . . 0.557 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -64.67 127.32 92.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 7.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 399' ' ' GLY . . . . . 0.893 ' C ' HG21 ' A' ' 316' ' ' THR . . . -125.94 33.39 3.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.557 ' HG ' ' CB ' ' A' ' 397' ' ' ARG . 17.3 mt -95.22 156.65 16.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.832 HD11 ' HB2' ' A' ' 312' ' ' ASN . 20.3 mt -109.82 -58.25 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 402' ' ' ASN . . . . . 0.744 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 1.5 m120 -108.32 83.01 1.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 403' ' ' VAL . . . . . 0.854 ' HA ' HD12 ' A' ' 406' ' ' ILE . 1.0 OUTLIER -79.46 -15.91 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.732 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -68.72 -50.27 25.14 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 405' ' ' PRO . . . . . 0.744 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.03 -26.37 10.93 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 406' ' ' ILE . . . . . 0.986 HD11 ' OD1' ' A' ' 313' ' ' ASP . 61.5 mt -59.93 -83.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 407' ' ' GLU . . . . . 0.425 ' N ' HG22 ' A' ' 406' ' ' ILE . 51.2 mt-10 -51.09 -23.05 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 408' ' ' ASP . . . . . 0.732 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 10.7 m-20 -73.49 -57.42 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 409' ' ' ILE . . . . . 0.937 HG22 HD11 ' A' ' 393' ' ' LEU . 33.2 mm -56.97 -18.25 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 410' ' ' GLN . . . . . 0.797 ' N ' HD12 ' A' ' 393' ' ' LEU . 0.0 OUTLIER -76.78 -41.1 45.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -45.91 -24.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 412' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.7 OUTLIER -85.96 -51.39 6.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.995 HD21 ' CG2' ' A' ' 303' ' ' ILE . 2.4 mt -55.75 -40.19 72.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.832 HD12 HG22 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -61.54 -46.55 89.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.588 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 40.5 mt-30 -51.21 -57.7 8.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 1.031 ' HB2' HD23 ' A' ' 214' ' ' LEU . . . -52.69 -45.87 67.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 1.002 HD22 ' C ' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -47.23 -81.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 418' ' ' GLU . . . . . 0.925 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.5 OUTLIER -55.34 -19.27 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 1.154 ' CD1' HD22 ' A' ' 211' ' ' LEU . 0.3 OUTLIER -69.07 -78.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 420' ' ' GLN . . . . . 0.707 ' N ' HD23 ' A' ' 419' ' ' LEU . 0.0 OUTLIER -59.28 -10.9 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.709 HD23 ' C ' ' A' ' 421' ' ' LEU . 1.4 tt -89.94 -49.48 6.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 422' ' ' LYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 12.0 ttpp -71.53 -3.37 20.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.531 ' O ' ' HD3' ' A' ' 426' ' ' PRO . 10.9 mt -103.87 -42.22 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.592 ' HB3' ' CE1' ' A' ' 425' ' ' HIS . 1.3 m120 -77.22 -9.05 58.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.625 ' CD2' HD23 ' A' ' 379' ' ' LEU . 0.1 OUTLIER -159.73 61.59 1.74 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.614 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.544 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.2 Cg_endo -75.09 106.22 2.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.487 1.783 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 426' ' ' PRO . 0.0 OUTLIER 168.46 66.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 428' ' ' SER . . . . . 0.4 ' OG ' ' HB2' ' A' ' 431' ' ' LEU . 23.2 t -179.05 -173.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 1.6 m -108.65 -94.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' GLN . . . . . 0.636 ' CB ' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -97.72 29.36 3.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 431' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 431' ' ' LEU . 0.3 OUTLIER -40.21 -44.71 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 432' ' ' PHE . . . . . 0.659 ' CD1' ' C ' ' A' ' 432' ' ' PHE . 0.1 OUTLIER -70.62 -35.23 72.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.016 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 433' ' ' ALA . . . . . 0.636 ' HB3' ' CB ' ' A' ' 430' ' ' GLN . . . -66.97 -21.81 65.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 431' ' ' LEU . 0.0 OUTLIER -100.41 -12.32 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 435' ' ' LEU . . . . . 0.792 ' O ' HD12 ' A' ' 435' ' ' LEU . 0.8 OUTLIER -78.06 -37.71 46.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.661 HD12 ' HG2' ' A' ' 437' ' ' GLN . 1.6 pp -71.92 -46.04 59.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 437' ' ' GLN . . . . . 0.661 ' HG2' HD12 ' A' ' 436' ' ' LEU . 1.6 mt-30 -46.94 -14.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.594 ' HD2' ' CZ ' ' A' ' 374' ' ' PHE . 16.9 mmtp -51.27 -25.24 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' MET . . . . . 0.636 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -23.53 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.99 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.616 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 71.8 p -32.62 -90.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.78 ' OD1' HD11 ' A' ' 445' ' ' ILE . 1.1 m-20 -42.59 -23.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.925 HD21 ' HA ' ' A' ' 328' ' ' THR . 0.7 OUTLIER -77.04 -79.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 443' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 439' ' ' MET . 3.4 ttt180 -58.77 -24.74 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.824 ' O ' HG22 ' A' ' 447' ' ' THR . 0.0 OUTLIER -73.95 -71.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.807 HG23 ' HB2' ' A' ' 366' ' ' PRO . 28.7 mt -51.94 -29.61 11.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.907 HG22 ' CD2' ' A' ' 327' ' ' TYR . 3.3 t -61.12 -68.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' THR . . . . . 0.824 HG22 ' O ' ' A' ' 444' ' ' GLN . 6.1 t -44.11 -26.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 451' ' ' GLN . 4.1 tt0 -76.11 -56.88 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -46.14 -25.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' VAL . . . . . 0.692 ' O ' ' N ' ' A' ' 454' ' ' GLN . 24.1 t -90.01 -35.84 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 451' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 455' ' ' VAL . 5.4 mt-30 -51.59 -26.45 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 1.141 HD13 ' CD2' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -95.03 -50.56 5.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.882 HD12 ' O ' ' A' ' 453' ' ' LEU . 0.2 OUTLIER -69.56 -12.65 61.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 454' ' ' GLN . . . . . 0.703 ' O ' ' CG ' ' A' ' 458' ' ' LYS . 32.2 tt0 -93.55 -47.67 6.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 451' ' ' GLN . 93.8 t -69.32 -12.35 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.856 HD12 ' N ' ' A' ' 457' ' ' LYS . 2.4 pp -101.27 -52.34 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.856 ' N ' HD12 ' A' ' 456' ' ' ILE . 0.0 OUTLIER -57.89 -13.92 5.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.703 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -108.02 -37.26 6.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 459' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 459' ' ' THR . 6.5 m -142.86 55.65 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.643 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.5 mm-40 -48.04 172.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -63.95 -26.71 68.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 462' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' A' ' 461' ' ' THR . 3.0 t0 169.73 49.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' MET . . . . . 0.445 ' HG2' ' N ' ' A' ' 464' ' ' SER . 0.6 OUTLIER 60.9 139.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.532 ' O ' HD11 ' A' ' 279' ' ' ILE . 3.1 t 179.8 54.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.779 HD21 HD13 ' A' ' 469' ' ' LEU . 0.1 OUTLIER -175.17 -128.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 466' ' ' HIS . . . . . 0.972 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 10.6 p80 -167.51 -176.64 0.48 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 467' ' ' PRO . . . . . 0.972 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.2 Cg_endo -74.99 -40.03 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.503 ' O ' ' CG1' ' A' ' 472' ' ' ILE . 1.5 mt -45.09 -20.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.779 HD13 HD21 ' A' ' 465' ' ' LEU . 0.0 OUTLIER -90.44 -55.98 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -48.52 -28.64 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -75.51 -54.16 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 472' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.0 OUTLIER -41.81 -57.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 473' ' ' TYR . . . . . 0.594 ' CE1' ' HE2' ' A' ' 457' ' ' LYS . 7.5 t80 -56.71 -51.67 67.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 474' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 474' ' ' LYS . 0.0 OUTLIER -52.73 -174.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -141.82 -64.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.764 ' N ' ' HG ' ' A' ' 211' ' ' LEU . 3.9 tp10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 208' ' ' SER . . . . . 0.847 ' O ' ' O ' ' A' ' 209' ' ' ALA . 44.2 m -27.48 -89.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.847 ' O ' ' O ' ' A' ' 208' ' ' SER . . . 1.21 -127.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 210' ' ' ASP . . . . . 0.692 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 3.3 m-20 -100.71 -6.28 25.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 1.051 ' HA ' HD21 ' A' ' 419' ' ' LEU . 0.1 OUTLIER -59.51 -55.99 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 212' ' ' ARG . . . . . 0.685 ' HG2' ' N ' ' A' ' 207' ' ' GLU . 17.3 mmt-85 -95.63 -19.38 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 213' ' ' ALA . . . . . 0.692 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -75.3 -65.59 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 214' ' ' LEU . . . . . 0.673 HD23 ' CB ' ' A' ' 416' ' ' ALA . 29.7 tp -61.16 -47.74 84.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 215' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 211' ' ' LEU . . . -44.01 -67.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 216' ' ' LYS . . . . . 0.662 ' O ' ' CB ' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -38.45 -36.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 217' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 14.9 t60 -80.52 -70.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.593 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 218' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 386' ' ' ILE . 0.3 OUTLIER -42.86 -52.33 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 219' ' ' TYR . . . . . 0.546 ' CD2' HG12 ' A' ' 223' ' ' ILE . 5.0 t80 -69.46 -28.77 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.956 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 220' ' ' ASP . . . . . 0.662 ' CB ' ' O ' ' A' ' 216' ' ' LYS . 0.4 OUTLIER -57.47 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 221' ' ' SER . . . . . 0.891 ' OG ' ' HD1' ' A' ' 299' ' ' TYR . 3.6 p -52.75 -27.73 19.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 222' ' ' TYR . . . . . 0.702 ' HB2' ' CE1' ' A' ' 299' ' ' TYR . 30.3 t80 -69.53 -56.19 8.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.546 HG12 ' CD2' ' A' ' 219' ' ' TYR . 5.8 mm -56.11 -8.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 224' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 220' ' ' ASP . 0.6 OUTLIER -96.9 -41.11 8.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 225' ' ' SER . . . . . 0.588 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 43.0 t -63.13 -89.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 226' ' ' PHE . . . . . 0.498 ' HD2' ' CE1' ' A' ' 222' ' ' TYR . 0.6 OUTLIER -76.08 114.48 37.83 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.984 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -45.5 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.7 HD13 ' HB2' ' A' ' 232' ' ' LYS . 0.2 OUTLIER -93.17 88.44 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 229' ' ' THR . . . . . 0.42 ' HB ' ' CG ' ' A' ' 381' ' ' ASP . 25.2 p -81.85 -165.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 230' ' ' LYS . . . . . 0.646 ' HB3' HD12 ' A' ' 384' ' ' LEU . 0.0 OUTLIER -74.6 -25.53 59.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 231' ' ' ALA . . . . . 0.62 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -73.68 -41.51 62.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 232' ' ' LYS . . . . . 0.7 ' HB2' HD13 ' A' ' 228' ' ' LEU . 1.3 mttm -73.45 -41.25 63.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 233' ' ' ALA . . . . . 0.585 ' HA ' ' HG ' ' A' ' 340' ' ' LEU . . . -66.35 -46.57 76.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.941 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -76.82 -1.17 26.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 235' ' ' ALA . . . . . 1.113 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -80.94 -53.83 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.623 ' O ' ' CA ' ' A' ' 245' ' ' SER . 0.0 OUTLIER -74.9 -35.78 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 237' ' ' LEU . . . . . 1.031 HD13 HD21 ' A' ' 340' ' ' LEU . 0.3 OUTLIER -60.13 -20.42 58.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 238' ' ' THR . . . . . 0.539 ' HB ' ' O ' ' A' ' 237' ' ' LEU . 0.9 OUTLIER 171.78 30.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.356 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 239' ' ' GLY . . . . . 1.113 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -122.67 48.33 0.96 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 240' ' ' LYS . . . . . 0.753 ' HB2' ' O ' ' A' ' 239' ' ' GLY . 0.0 OUTLIER 111.81 -125.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 109.333 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 241' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 243' ' ' ASP . 0.2 OUTLIER 47.78 19.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.688 HG22 ' N ' ' A' ' 243' ' ' ASP . 0.5 OUTLIER 61.25 -68.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 243' ' ' ASP . . . . . 0.688 ' N ' HG22 ' A' ' 242' ' ' THR . 0.2 OUTLIER -65.66 -9.69 29.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 244' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 240' ' ' LYS . 0.5 OUTLIER 55.16 33.69 21.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 245' ' ' SER . . . . . 0.623 ' CA ' ' O ' ' A' ' 236' ' ' ILE . 1.5 m -170.81 138.72 1.26 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 246' ' ' PRO . . . . . 0.634 ' HG2' ' CD2' ' A' ' 347' ' ' PHE . 18.3 Cg_endo -75.04 153.93 41.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.523 1.802 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 247' ' ' PHE . . . . . 0.709 ' O ' ' CD1' ' A' ' 347' ' ' PHE . 0.7 OUTLIER -107.56 -133.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 248' ' ' VAL . . . . . 1.039 HG22 ' H ' ' A' ' 347' ' ' PHE . 0.7 OUTLIER 51.43 -159.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 249' ' ' ILE . . . . . 1.208 ' O ' ' HA ' ' A' ' 348' ' ' MET . 1.1 pt -163.28 -40.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 250' ' ' TYR . . . . . 0.838 ' CB ' ' O ' ' A' ' 249' ' ' ILE . 65.1 t80 133.48 27.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 251' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 255' ' ' LEU . 45.0 p-10 -80.18 -169.69 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 252' ' ' MET . . . . . 0.478 ' O ' ' CG ' ' A' ' 256' ' ' MET . 5.5 mmt -38.36 -62.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -41.68 -66.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 254' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 255' ' ' LEU . 0.1 OUTLIER -58.41 -69.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.037 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 255' ' ' LEU . . . . . 0.642 HD12 ' CE2' ' A' ' 250' ' ' TYR . 1.2 tt -36.4 -54.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 256' ' ' MET . . . . . 0.508 ' O ' ' CB ' ' A' ' 260' ' ' ASP . 3.2 mmt -45.54 -79.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 257' ' ' MET . . . . . 0.695 ' O ' ' N ' ' A' ' 262' ' ' ILE . 1.8 mmt -45.33 -28.83 0.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 258' ' ' GLY . . . . . 1.034 ' O ' ' N ' ' A' ' 261' ' ' LYS . . . -84.32 -99.44 0.62 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.545 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 5.9 tt0 -27.24 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 260' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 258' ' ' GLY . 3.9 t0 -78.96 -24.3 43.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 261' ' ' LYS . . . . . 1.034 ' N ' ' O ' ' A' ' 258' ' ' GLY . 0.1 OUTLIER 76.81 32.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 262' ' ' ILE . . . . . 0.813 HG23 ' C ' ' A' ' 261' ' ' LYS . 0.6 OUTLIER 83.47 -29.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 262' ' ' ILE . 0.8 OUTLIER 161.3 69.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 264' ' ' PHE . . . . . 0.522 ' CB ' ' HB2' ' A' ' 261' ' ' LYS . 15.4 t80 -129.51 118.62 22.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 264' ' ' PHE . 0.0 OUTLIER -40.03 122.1 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -113.21 -65.94 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.599 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 267' ' ' ILE . 34.7 mm 64.52 122.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 268' ' ' THR . . . . . 1.041 HG22 ' HG ' ' A' ' 270' ' ' LEU . 0.5 OUTLIER -149.65 174.48 3.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.436 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 269' ' ' PRO . . . . . 0.843 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.4 Cg_endo -74.97 52.36 3.02 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.515 1.797 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 1.041 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.0 OUTLIER -85.07 178.29 7.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 271' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' A' ' 270' ' ' LEU . 0.0 OUTLIER 158.38 -179.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -65.99 67.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 273' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 271' ' ' GLN . 0.0 OUTLIER -178.19 -65.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.94 150.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 275' ' ' LYS . . . . . 0.729 ' CD ' HG21 ' A' ' 279' ' ' ILE . 0.0 OUTLIER -64.26 -124.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 276' ' ' GLU . . . . . 0.709 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 0.7 OUTLIER -132.39 160.31 36.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 277' ' ' VAL . . . . . 0.636 HG22 HD22 ' A' ' 356' ' ' LEU . 3.1 p -41.27 -27.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 278' ' ' ALA . . . . . 0.885 ' HB2' ' HB2' ' A' ' 357' ' ' ARG . . . -69.74 -73.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 0.729 HG21 ' CD ' ' A' ' 275' ' ' LYS . 1.2 mp -36.04 -31.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 280' ' ' ARG . . . . . 0.545 ' CZ ' ' OE1' ' A' ' 259' ' ' GLU . 0.0 OUTLIER -76.19 -58.98 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 281' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 285' ' ' CYS . 1.1 mp -64.36 -47.43 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 282' ' ' PHE . . . . . 0.684 ' HB2' ' CD2' ' A' ' 360' ' ' PHE . 5.4 t80 -52.45 -47.08 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 283' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 1.5 tt0 -60.36 -35.79 76.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 284' ' ' GLY . . . . . 0.503 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -84.75 -54.53 2.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 285' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.7 OUTLIER -51.0 -16.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 286' ' ' GLN . . . . . 0.503 ' N ' ' C ' ' A' ' 284' ' ' GLY . 25.2 tt0 -110.29 -26.17 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 287' ' ' PHE . . . . . 0.619 ' CZ ' ' CD ' ' A' ' 291' ' ' GLU . 20.8 t80 -52.03 -30.48 25.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -20.19 63.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 35.2 t -88.47 -54.02 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 290' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.3 m -51.57 -32.36 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 291' ' ' GLU . . . . . 0.619 ' CD ' ' CZ ' ' A' ' 287' ' ' PHE . 51.6 mt-10 -77.24 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 292' ' ' ALA . . . . . 0.923 ' O ' HD12 ' A' ' 296' ' ' ILE . . . -33.59 -59.28 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 293' ' ' VAL . . . . . 0.696 ' HA ' HG21 ' A' ' 322' ' ' VAL . 8.9 t -38.87 -46.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 294' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.5 mt-30 -73.25 -26.22 61.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 295' ' ' GLU . . . . . 0.676 ' N ' ' O ' ' A' ' 292' ' ' ALA . 15.2 mm-40 -77.13 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 296' ' ' ILE . . . . . 0.923 HD12 ' O ' ' A' ' 292' ' ' ALA . 4.4 mp -39.63 -63.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 297' ' ' THR . . . . . 0.568 HG23 ' CD ' ' A' ' 301' ' ' LYS . 0.9 OUTLIER -42.06 -58.92 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -27.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 299' ' ' TYR . . . . . 0.891 ' HD1' ' OG ' ' A' ' 221' ' ' SER . 0.2 OUTLIER -103.03 -57.57 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.79 ' C ' ' H ' ' A' ' 302' ' ' SER . . . -44.06 -44.46 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 301' ' ' LYS . . . . . 0.568 ' CD ' HG23 ' A' ' 297' ' ' THR . 14.5 mttm -46.81 -2.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 302' ' ' SER . . . . . 0.79 ' H ' ' C ' ' A' ' 300' ' ' ALA . 1.2 p -74.08 -41.42 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 303' ' ' ILE . . . . . 0.702 HG21 ' CG2' ' A' ' 409' ' ' ILE . 1.1 mt -62.54 121.52 67.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.31 3.59 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 305' ' ' GLY . . . . . 0.616 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -174.41 -27.43 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 306' ' ' PHE . . . . . 0.836 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 45.9 t80 -54.44 -63.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -20.17 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -74.99 -12.61 60.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.943 HD13 HG23 ' A' ' 406' ' ' ILE . 12.1 mt -60.87 -108.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 310' ' ' ASP . . . . . 0.746 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.3 t70 -140.88 151.83 44.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 311' ' ' LEU . . . . . 0.53 HD23 ' H ' ' A' ' 311' ' ' LEU . 0.2 OUTLIER -55.35 -48.08 74.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 312' ' ' ASN . . . . . 0.775 ' CB ' HD11 ' A' ' 401' ' ' LEU . 5.4 m120 -79.62 -52.11 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 313' ' ' ASP . . . . . 0.859 ' N ' HD12 ' A' ' 401' ' ' LEU . 40.2 t0 -44.09 -39.48 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 314' ' ' GLN . . . . . 0.909 ' O ' HD12 ' A' ' 318' ' ' LEU . 6.1 mt-30 -73.06 -32.49 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 315' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 312' ' ' ASN . 5.6 t -83.2 -34.78 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.766 HG21 ' HA ' ' A' ' 400' ' ' LEU . 0.9 OUTLIER -73.12 -44.31 60.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 317' ' ' LEU . . . . . 1.201 HD23 ' N ' ' A' ' 318' ' ' LEU . 0.2 OUTLIER -66.19 -28.17 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 318' ' ' LEU . . . . . 1.201 ' N ' HD23 ' A' ' 317' ' ' LEU . 0.2 OUTLIER -76.61 -48.26 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -26.69 37.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 320' ' ' TYR . . . . . 0.48 ' O ' ' NH2' ' A' ' 443' ' ' ARG . 13.1 m-85 -116.4 -0.46 12.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 321' ' ' GLY . . . . . 0.814 ' O ' HD12 ' A' ' 325' ' ' ILE . . . -115.04 -56.49 0.36 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 322' ' ' VAL . . . . . 0.874 ' HB ' HD23 ' A' ' 318' ' ' LEU . 1.8 p -42.68 -24.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 323' ' ' HIS . . . . . 0.59 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 11.2 m-70 -71.16 -51.47 24.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 324' ' ' GLU . . . . . 0.683 ' HA ' HD12 ' A' ' 442' ' ' LEU . 22.0 mt-10 -73.31 7.39 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 325' ' ' ILE . . . . . 0.818 HD13 ' CD1' ' A' ' 392' ' ' ILE . 1.2 mp -108.64 -48.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 326' ' ' ILE . . . . . 0.892 HG12 ' HB1' ' A' ' 292' ' ' ALA . 3.2 mt -74.79 -38.8 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.975 ' CD2' HG22 ' A' ' 446' ' ' VAL . 22.4 m-85 -76.13 -17.47 59.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 328' ' ' THR . . . . . 0.808 ' HA ' HD21 ' A' ' 442' ' ' LEU . 0.7 OUTLIER -76.37 -58.72 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.444 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.734 ' HE3' HD21 ' A' ' 333' ' ' LEU . 9.3 ptm -81.04 -16.46 53.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.646 ' HB2' ' O ' ' A' ' 326' ' ' ILE . 1.7 mt -47.97 -56.13 8.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 331' ' ' ALA . . . . . 1.018 ' HA ' ' HB2' ' A' ' 371' ' ' ALA . . . -37.24 -50.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 332' ' ' SER . . . . . 0.941 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 34.2 m -59.53 -46.24 89.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.734 HD21 ' HE3' ' A' ' 329' ' ' MET . 0.0 OUTLIER -76.11 10.94 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 334' ' ' MET . . . . . 0.73 ' HE2' ' C ' ' A' ' 367' ' ' LYS . 0.0 OUTLIER -108.21 -176.1 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 335' ' ' ASN . . . . . 0.591 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.9 t-20 -148.18 168.17 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 336' ' ' LYS . . . . . 0.591 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.2 OUTLIER -46.73 -57.46 4.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 337' ' ' ASP . . . . . 0.63 ' O ' ' HA ' ' A' ' 349' ' ' THR . 1.3 m-20 -133.65 41.93 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 338' ' ' GLY . . . . . 0.712 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -167.64 179.97 40.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 339' ' ' VAL . . . . . 1.098 ' O ' HG23 ' A' ' 341' ' ' ILE . 0.5 OUTLIER -137.16 128.99 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 1.031 HD21 HD13 ' A' ' 237' ' ' LEU . 2.7 mm? -49.89 117.37 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 341' ' ' ILE . . . . . 1.098 HG23 ' O ' ' A' ' 339' ' ' VAL . 0.8 OUTLIER -137.33 127.73 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 342' ' ' SER . . . . . 0.493 ' CB ' ' HB3' ' A' ' 345' ' ' GLN . 3.7 m 65.75 115.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.516 ' HB3' HD23 ' A' ' 228' ' ' LEU . 7.4 pt-20 -59.44 131.37 50.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 61.53 27.64 68.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 345' ' ' GLN . . . . . 0.638 ' CG ' HG11 ' A' ' 248' ' ' VAL . 1.9 tt0 -117.28 -99.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 346' ' ' GLY . . . . . 0.927 ' HA3' HG13 ' A' ' 248' ' ' VAL . . . -148.22 -131.2 2.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 347' ' ' PHE . . . . . 1.039 ' H ' HG22 ' A' ' 248' ' ' VAL . 0.0 OUTLIER -169.23 176.32 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 348' ' ' MET . . . . . 1.208 ' HA ' ' O ' ' A' ' 249' ' ' ILE . 23.7 ttm -96.25 87.5 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 349' ' ' THR . . . . . 0.924 HG23 ' HA ' ' A' ' 249' ' ' ILE . 1.4 p -56.66 142.3 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 350' ' ' ARG . . . . . 0.846 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 5.9 ttp85 -58.6 -53.37 59.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 351' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 355' ' ' SER . 3.9 pt-20 -41.74 -23.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 352' ' ' PHE . . . . . 0.705 ' CE1' ' CD1' ' A' ' 249' ' ' ILE . 2.5 t80 -84.46 -69.14 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 353' ' ' LEU . . . . . 0.942 HD13 ' HB3' ' A' ' 364' ' ' MET . 0.3 OUTLIER -43.38 -54.72 4.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 354' ' ' LYS . . . . . 0.579 ' O ' ' N ' ' A' ' 356' ' ' LEU . 1.0 OUTLIER -58.79 -46.55 87.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 355' ' ' SER . . . . . 0.602 ' O ' HD23 ' A' ' 356' ' ' LEU . 1.0 OUTLIER -52.62 82.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 356' ' ' LEU . . . . . 0.636 HD22 HG22 ' A' ' 277' ' ' VAL . 0.3 OUTLIER 165.18 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 357' ' ' ARG . . . . . 0.885 ' HB2' ' HB2' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -17.02 123.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 358' ' ' LYS . . . . . 0.771 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.1 OUTLIER -40.44 -49.76 6.79 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.771 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.5 Cg_endo -74.9 -76.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 360' ' ' PHE . . . . . 0.81 ' HD2' ' HB1' ' A' ' 278' ' ' ALA . 2.2 m-30 -48.46 -12.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 361' ' ' GLY . . . . . 0.622 ' N ' ' O ' ' A' ' 357' ' ' ARG . . . -104.95 38.92 3.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 362' ' ' ASP . . . . . 0.409 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 37.8 p30 -177.56 42.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 363' ' ' PHE . . . . . 0.931 ' HB2' HD13 ' A' ' 452' ' ' LEU . 0.0 OUTLIER -124.78 0.64 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 364' ' ' MET . . . . . 0.942 ' HB3' HD13 ' A' ' 353' ' ' LEU . 2.1 tpt -110.21 -3.42 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 365' ' ' GLU . . . . . 0.846 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 2.6 tp10 -67.66 -31.54 3.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 366' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.92 -29.23 8.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.8 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 367' ' ' LYS . . . . . 0.73 ' C ' ' HE2' ' A' ' 334' ' ' MET . 0.0 OUTLIER -68.72 -57.15 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 368' ' ' PHE . . . . . 0.509 ' CZ ' HD21 ' A' ' 353' ' ' LEU . 6.0 m-30 -59.15 -42.45 90.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -53.52 -47.64 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 370' ' ' PHE . . . . . 0.805 ' CE2' ' HB2' ' A' ' 331' ' ' ALA . 27.9 t80 -54.81 -46.45 74.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 371' ' ' ALA . . . . . 1.018 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -64.81 -25.76 68.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -21.44 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 373' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 370' ' ' PHE . 0.0 OUTLIER -105.43 -22.43 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 374' ' ' PHE . . . . . 0.772 ' CD1' ' CE1' ' A' ' 370' ' ' PHE . 0.2 OUTLIER -89.91 -38.52 13.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 375' ' ' ASN . . . . . 0.629 ' ND2' ' NH2' ' A' ' 234' ' ' ARG . 34.8 m-20 -59.22 -6.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' A' ' 374' ' ' PHE . . . -84.5 24.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.662 HD12 HD21 ' A' ' 379' ' ' LEU . 0.7 OUTLIER -156.09 10.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 378' ' ' GLU . . . . . 0.618 ' C ' ' O ' ' A' ' 377' ' ' LEU . 0.0 OUTLIER -17.17 93.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 379' ' ' LEU . . . . . 0.737 ' HB2' HD21 ' A' ' 384' ' ' LEU . 0.1 OUTLIER -82.46 -139.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 380' ' ' ASP . . . . . 0.622 ' OD2' ' CD2' ' A' ' 425' ' ' HIS . 1.2 p-10 -136.96 133.42 35.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 381' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 231' ' ' ALA . 22.0 m-20 -39.16 -26.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 382' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 380' ' ' ASP . 0.0 OUTLIER -57.94 -55.55 33.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 383' ' ' ASP . . . . . 0.58 ' OD2' ' NE2' ' A' ' 425' ' ' HIS . 0.5 OUTLIER -70.73 -30.7 67.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.737 HD21 ' HB2' ' A' ' 379' ' ' LEU . 3.4 mt -70.32 -57.81 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 385' ' ' ALA . . . . . 0.577 ' HB2' ' CE2' ' A' ' 222' ' ' TYR . . . -39.06 -63.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.76 ' HA ' HD12 ' A' ' 218' ' ' LEU . 1.1 mt -52.25 -50.4 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 387' ' ' PHE . . . . . 0.581 ' CZ ' HD22 ' A' ' 435' ' ' LEU . 0.4 OUTLIER -36.2 -54.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 388' ' ' ILE . . . . . 0.709 ' CG1' HG23 ' A' ' 325' ' ' ILE . 1.7 mp -41.66 -50.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 389' ' ' ALA . . . . . 0.661 ' HA ' HG22 ' A' ' 392' ' ' ILE . . . -60.35 -41.22 93.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.739 HG22 ' HB2' ' A' ' 413' ' ' LEU . 5.6 t -67.99 -6.85 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.813 ' C ' HD11 ' A' ' 325' ' ' ILE . 7.7 mt -124.35 -1.49 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 392' ' ' ILE . . . . . 0.818 ' CD1' HD13 ' A' ' 325' ' ' ILE . 2.5 tp -100.65 -41.0 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 1.076 HD23 ' CD1' ' A' ' 413' ' ' LEU . 1.0 OUTLIER -62.7 46.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 394' ' ' SER . . . . . 0.94 ' OG ' HG21 ' A' ' 406' ' ' ILE . 51.0 m 55.09 -98.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 395' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 394' ' ' SER . . . 32.76 39.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 396' ' ' ASP . . . . . 0.548 ' OD1' ' HB2' ' A' ' 397' ' ' ARG . 0.4 OUTLIER -104.02 -72.09 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 0.778 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 397' ' ' ARG . . . . . 0.678 ' HB3' ' HD2' ' A' ' 398' ' ' PRO . 0.0 OUTLIER -147.64 176.68 2.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 398' ' ' PRO . . . . . 0.678 ' HD2' ' HB3' ' A' ' 397' ' ' ARG . 18.4 Cg_endo -74.98 44.45 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 399' ' ' GLY . . . . . 0.636 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . -128.18 45.88 1.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.767 HD13 ' HB3' ' A' ' 394' ' ' SER . 0.7 OUTLIER -128.29 -146.5 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 0.787 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 401' ' ' LEU . . . . . 0.859 HD12 ' N ' ' A' ' 313' ' ' ASP . 15.1 mt -135.41 -72.85 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 402' ' ' ASN . . . . . 1.066 ' O ' ' CG1' ' A' ' 406' ' ' ILE . 6.4 m-20 -103.78 78.42 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 403' ' ' VAL . . . . . 0.711 ' HA ' ' CD1' ' A' ' 406' ' ' ILE . 0.8 OUTLIER -73.69 -8.36 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.753 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.5 OUTLIER -74.58 -50.43 4.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 405' ' ' PRO . . . . . 0.952 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -74.98 -15.23 20.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 406' ' ' ILE . . . . . 1.066 ' CG1' ' O ' ' A' ' 402' ' ' ASN . 0.0 OUTLIER -91.72 -79.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 407' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 403' ' ' VAL . 26.3 mt-10 -41.22 -26.92 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 408' ' ' ASP . . . . . 0.753 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 24.6 m-20 -73.44 -55.9 5.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 409' ' ' ILE . . . . . 0.702 ' CG2' HG21 ' A' ' 303' ' ' ILE . 23.7 mm -55.11 -21.62 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 410' ' ' GLN . . . . . 0.824 ' HG2' HD12 ' A' ' 413' ' ' LEU . 0.1 OUTLIER -73.19 -44.32 59.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -42.41 -26.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 412' ' ' ASN . . . . . 0.441 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.2 OUTLIER -84.69 -56.65 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 1.076 ' CD1' HD23 ' A' ' 393' ' ' LEU . 0.2 OUTLIER -51.16 -40.44 58.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.673 HD12 HG11 ' A' ' 390' ' ' VAL . 5.4 tp -59.3 -51.1 71.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.569 ' O ' ' HB3' ' A' ' 419' ' ' LEU . 38.6 mt-30 -50.55 -58.2 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.792 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -56.78 -44.65 82.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 0.999 HD22 ' C ' ' A' ' 417' ' ' LEU . 0.0 OUTLIER -46.91 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 418' ' ' GLU . . . . . 0.935 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.3 OUTLIER -52.17 -20.11 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 1.051 HD21 ' HA ' ' A' ' 211' ' ' LEU . 0.0 OUTLIER -68.01 -86.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 420' ' ' GLN . . . . . 0.731 ' O ' ' HB3' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -56.53 -8.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.775 HD22 ' C ' ' A' ' 421' ' ' LEU . 0.0 OUTLIER -87.21 -55.7 3.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 422' ' ' LYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 426' ' ' PRO . 0.0 OUTLIER -94.81 22.37 6.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.735 HD12 ' HG ' ' A' ' 419' ' ' LEU . 93.7 mt -129.48 -38.51 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.731 ' HB3' ' O ' ' A' ' 420' ' ' GLN . 0.1 OUTLIER -96.08 -10.6 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.761 ' O ' ' CG ' ' A' ' 425' ' ' HIS . 0.7 OUTLIER -178.95 65.96 0.17 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.589 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.586 ' HA ' ' HA ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.96 -163.57 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.42 -50.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.33 -153.55 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 5.7 m -94.96 -52.44 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' GLN . . . . . 0.556 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -110.08 24.79 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 431' ' ' LEU . . . . . 0.476 HD22 ' HD3' ' A' ' 434' ' ' LYS . 1.2 tm? -37.99 -29.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 432' ' ' PHE . . . . . 0.622 ' CG ' ' N ' ' A' ' 433' ' ' ALA . 0.1 OUTLIER -83.7 -48.63 9.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 433' ' ' ALA . . . . . 0.622 ' N ' ' CG ' ' A' ' 432' ' ' PHE . . . -46.59 -23.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.555 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 12.3 ptmt -96.83 -47.81 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' LEU . . . . . 0.581 HD22 ' CZ ' ' A' ' 387' ' ' PHE . 0.3 OUTLIER -39.12 -38.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 432' ' ' PHE . 2.7 mt -76.79 -47.14 22.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 437' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 2.7 mm100 -47.53 -11.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 438' ' ' LYS . . . . . 0.562 ' HG2' ' CZ ' ' A' ' 374' ' ' PHE . 0.0 OUTLIER -51.26 -27.63 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 439' ' ' MET . . . . . 0.558 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -25.29 -44.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.578 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.7 OUTLIER -33.79 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.563 ' O ' ' CG1' ' A' ' 445' ' ' ILE . 0.6 OUTLIER -63.85 -17.03 62.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.808 HD21 ' HA ' ' A' ' 328' ' ' THR . 0.1 OUTLIER -74.34 -78.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 443' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 439' ' ' MET . 0.2 OUTLIER -53.36 -19.92 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.788 ' O ' HG22 ' A' ' 447' ' ' THR . 7.9 mm100 -67.39 -64.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.777 HD11 ' HB2' ' A' ' 370' ' ' PHE . 0.9 OUTLIER -44.54 -43.8 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.975 HG22 ' CD2' ' A' ' 327' ' ' TYR . 8.7 t -53.01 -72.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 447' ' ' THR . . . . . 0.788 HG22 ' O ' ' A' ' 444' ' ' GLN . 8.4 t -43.78 -25.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 448' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 445' ' ' ILE . 4.2 mt-10 -80.59 -56.47 4.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' HIS . . . . . 0.435 ' ND1' HG23 ' A' ' 450' ' ' VAL . 0.2 OUTLIER -42.96 -28.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 450' ' ' VAL . . . . . 0.78 HG12 ' HB2' ' A' ' 454' ' ' GLN . 59.4 t -86.81 -48.9 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 451' ' ' GLN . . . . . 0.799 ' O ' HG23 ' A' ' 455' ' ' VAL . 39.8 mt-30 -40.57 -28.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.931 HD13 ' HB2' ' A' ' 363' ' ' PHE . 7.5 mt -86.75 -66.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.373 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 457' ' ' LYS . 1.3 tp -60.0 -14.48 16.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 454' ' ' GLN . . . . . 0.78 ' HB2' HG12 ' A' ' 450' ' ' VAL . 33.3 tt0 -84.38 -49.01 9.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 451' ' ' GLN . 94.5 t -70.53 -7.79 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.975 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -103.72 -60.17 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.623 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 0.3 OUTLIER -39.85 -34.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 0.7 OUTLIER -89.23 -40.53 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 459' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.2 OUTLIER -121.44 39.57 3.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.975 ' N ' ' O ' ' A' ' 456' ' ' ILE . 4.4 mm-40 -42.53 132.76 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -38.67 -29.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 462' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 460' ' ' GLU . 0.8 OUTLIER 172.06 64.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 26.7 ttt 62.43 154.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 465' ' ' LEU . 1.4 t -160.32 152.68 20.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.792 HD23 HD13 ' A' ' 469' ' ' LEU . 0.2 OUTLIER 37.27 -116.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 466' ' ' HIS . . . . . 0.935 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 15.9 p80 -158.16 -176.54 0.63 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.559 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 467' ' ' PRO . . . . . 0.935 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.4 Cg_endo -75.02 -50.88 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.421 1.748 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.605 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 1.8 mt -41.77 -21.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.792 HD13 HD23 ' A' ' 465' ' ' LEU . 0.2 OUTLIER -85.98 -57.01 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.39 -30.5 3.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -70.23 -52.25 24.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 472' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 468' ' ' LEU . 0.7 OUTLIER -48.39 -59.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 473' ' ' TYR . . . . . 0.646 ' OH ' HG13 ' A' ' 450' ' ' VAL . 0.2 OUTLIER -48.83 -50.18 35.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 474' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 474' ' ' LYS . 0.8 OUTLIER -58.39 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 1.1 p30 175.22 75.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 210' ' ' ASP . . . . . 0.547 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 17.0 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 1.199 HD22 ' CD1' ' A' ' 419' ' ' LEU . 0.1 OUTLIER -46.66 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 212' ' ' ARG . . . . . 0.508 ' N ' HD12 ' A' ' 211' ' ' LEU . 0.2 OUTLIER -87.86 -14.81 38.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -74.58 -63.37 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 214' ' ' LEU . . . . . 1.067 HD23 ' HB2' ' A' ' 416' ' ' ALA . 15.6 tp -56.03 -50.25 71.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -44.72 -60.96 1.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . 0.667 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -54.07 -28.05 36.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 217' ' ' HIS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 220' ' ' ASP . 32.6 t60 -75.87 -68.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.591 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 386' ' ' ILE . 0.2 OUTLIER -37.78 -54.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 219' ' ' TYR . . . . . 0.498 ' CZ ' HD11 ' A' ' 223' ' ' ILE . 4.8 t80 -69.77 -29.45 66.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . 0.667 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 0.3 OUTLIER -60.02 -76.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 221' ' ' SER . . . . . 0.761 ' HG ' ' HD1' ' A' ' 299' ' ' TYR . 67.6 p -51.46 -27.63 10.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 222' ' ' TYR . . . . . 0.781 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 16.2 t80 -74.68 -52.59 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 223' ' ' ILE . . . . . 0.498 HD11 ' CZ ' ' A' ' 219' ' ' TYR . 0.6 OUTLIER -57.13 -6.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . 0.509 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -100.42 -43.45 6.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . 0.725 ' HG ' ' C ' ' A' ' 295' ' ' GLU . 44.8 t -65.8 -82.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 226' ' ' PHE . . . . . 0.704 ' CD2' ' HE1' ' A' ' 329' ' ' MET . 1.2 t80 -115.0 110.87 45.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 227' ' ' PRO . . . . . 0.643 ' O ' HG23 ' A' ' 229' ' ' THR . 18.3 Cg_endo -74.98 -22.65 14.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.64 HD12 ' HG ' ' A' ' 333' ' ' LEU . 0.2 OUTLIER -57.74 109.38 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . 0.645 ' O ' ' N ' ' A' ' 233' ' ' ALA . 76.2 p -137.85 -177.65 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . 0.796 ' CG ' ' HB3' ' A' ' 332' ' ' SER . 0.5 OUTLIER -64.56 -26.93 68.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . 0.935 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -78.78 -23.93 44.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 232' ' ' LYS . . . . . 0.524 ' O ' HG12 ' A' ' 236' ' ' ILE . 1.6 mttm -99.8 -34.02 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 233' ' ' ALA . . . . . 1.034 ' HB2' HD12 ' A' ' 333' ' ' LEU . . . -72.71 -51.57 18.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.688 ' N ' ' HD2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -75.62 -9.15 58.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . 0.963 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -80.78 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.572 HD11 HD12 ' A' ' 340' ' ' LEU . 19.5 pt -61.43 -41.69 90.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 237' ' ' LEU . . . . . 0.936 ' CD1' HD21 ' A' ' 340' ' ' LEU . 14.6 mt -46.81 -27.98 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 238' ' ' THR . . . . . . . . . . . . . 5.2 t -173.54 -30.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . 0.963 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . 0.7 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 247' ' ' PHE . . . . . 0.699 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 2.0 t80 -12.26 77.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 1.066 HG13 ' CZ ' ' A' ' 347' ' ' PHE . 3.8 t -53.03 138.39 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 249' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 349' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 276' ' ' GLU . . . . . 0.616 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 1.2 pt-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 277' ' ' VAL . . . . . 0.496 HG12 HD22 ' A' ' 356' ' ' LEU . 15.4 t -51.55 -16.58 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 278' ' ' ALA . . . . . 0.706 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -83.47 -68.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 0.513 ' C ' ' O ' ' A' ' 278' ' ' ALA . 1.3 mp -31.59 -36.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 278' ' ' ALA . 4.6 mtp180 -77.41 -54.72 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 281' ' ' ILE . . . . . 1.071 HD11 ' CZ ' ' A' ' 352' ' ' PHE . 0.6 OUTLIER -74.31 -47.68 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 282' ' ' PHE . . . . . 0.797 ' CD2' ' CZ ' ' A' ' 360' ' ' PHE . 0.5 OUTLIER -50.26 -44.74 53.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 283' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 78.2 mt-30 -67.01 -36.43 82.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 284' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -81.17 -57.14 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 285' ' ' CYS . . . . . 0.618 ' N ' ' O ' ' A' ' 281' ' ' ILE . 1.7 p -55.23 -15.47 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 286' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 3.4 tt0 -107.89 -23.31 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 287' ' ' PHE . . . . . 0.708 ' CE1' ' CG ' ' A' ' 291' ' ' GLU . 8.9 t80 -50.73 -48.26 59.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . 0.569 ' NH2' ' CE2' ' A' ' 287' ' ' PHE . 2.1 mmp_? -48.18 -21.88 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 289' ' ' SER . . . . . 0.536 ' HA ' HD13 ' A' ' 326' ' ' ILE . 1.0 OUTLIER -83.45 -59.61 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 290' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 287' ' ' PHE . 3.0 m -53.27 -23.77 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . 0.708 ' CG ' ' CE1' ' A' ' 287' ' ' PHE . 30.2 mt-10 -78.5 -61.52 1.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . 0.755 ' HB3' ' CD1' ' A' ' 326' ' ' ILE . . . -34.44 -56.83 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . 0.578 HG22 HG11 ' A' ' 322' ' ' VAL . 17.1 t -39.33 -46.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 294' ' ' GLN . . . . . 0.546 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.8 mt-30 -72.35 -29.37 63.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 295' ' ' GLU . . . . . 0.725 ' C ' ' HG ' ' A' ' 225' ' ' SER . 6.7 mm-40 -76.72 -57.15 4.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . 0.972 HG21 HD21 ' A' ' 318' ' ' LEU . 2.2 mp -37.75 -63.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 297' ' ' THR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -40.07 -60.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.47 -27.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 299' ' ' TYR . . . . . 0.781 ' CZ ' ' HB2' ' A' ' 222' ' ' TYR . 0.8 OUTLIER -108.14 -33.83 7.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.776 ' N ' ' O ' ' A' ' 296' ' ' ILE . . . -61.82 -56.35 20.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -50.78 -1.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 302' ' ' SER . . . . . 0.756 ' CB ' ' OG ' ' A' ' 221' ' ' SER . 8.2 p -73.49 -39.01 65.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 303' ' ' ILE . . . . . 0.819 HD13 ' CD2' ' A' ' 393' ' ' LEU . 1.7 mt -56.92 129.47 78.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 304' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.3 Cg_endo -74.95 47.46 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . 0.593 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -167.35 -27.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.779 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 65.6 t80 -55.34 -60.25 3.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -23.76 33.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -73.55 -14.06 61.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.779 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.2 mt -69.91 -109.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 310' ' ' ASP . . . . . 0.694 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -144.77 151.32 38.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . 0.431 HD12 ' ND2' ' A' ' 312' ' ' ASN . 0.2 OUTLIER -56.41 -46.99 79.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 312' ' ' ASN . . . . . 0.565 ' CB ' HD11 ' A' ' 401' ' ' LEU . 14.0 m-80 -78.46 -50.49 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 313' ' ' ASP . . . . . 0.878 ' N ' HD12 ' A' ' 401' ' ' LEU . 43.6 t0 -47.49 -53.23 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 314' ' ' GLN . . . . . 0.673 ' HA ' HD21 ' A' ' 317' ' ' LEU . 11.8 mt-30 -50.71 -47.21 59.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 315' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 316' ' ' THR . 1.1 t -69.84 -50.19 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.734 HG21 ' O ' ' A' ' 399' ' ' GLY . 1.3 m -42.15 -59.35 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 317' ' ' LEU . . . . . 0.775 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.3 OUTLIER -50.53 -56.34 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 318' ' ' LEU . . . . . 0.972 HD21 HG21 ' A' ' 296' ' ' ILE . 0.2 OUTLIER -54.48 -49.87 69.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -41.49 -42.77 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 320' ' ' TYR . . . . . 0.514 ' O ' ' HD2' ' A' ' 397' ' ' ARG . 11.1 m-85 -113.37 5.15 16.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 321' ' ' GLY . . . . . 0.775 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -107.4 -54.3 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 322' ' ' VAL . . . . . 0.934 ' HB ' HD23 ' A' ' 318' ' ' LEU . 2.9 p -37.16 -32.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . 0.605 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 17.7 m170 -56.65 -68.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 324' ' ' GLU . . . . . 0.812 ' O ' ' HB ' ' A' ' 328' ' ' THR . 0.9 OUTLIER -58.86 -2.98 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 325' ' ' ILE . . . . . 0.992 HD12 HG22 ' A' ' 391' ' ' ILE . 1.1 mp -93.92 -61.14 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 326' ' ' ILE . . . . . 1.003 HG22 HD22 ' A' ' 330' ' ' LEU . 38.9 mt -56.65 -40.89 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.81 ' CD2' HG22 ' A' ' 446' ' ' VAL . 23.6 m-85 -78.31 -21.31 49.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' THR . . . . . 0.812 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 0.6 OUTLIER -56.82 -58.73 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.94 ' O ' HD22 ' A' ' 333' ' ' LEU . 11.7 ptm -90.17 -31.51 17.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 1.003 HD22 HG22 ' A' ' 326' ' ' ILE . 0.4 OUTLIER -35.84 -64.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 331' ' ' ALA . . . . . 0.882 ' HB1' ' CB ' ' A' ' 371' ' ' ALA . . . -34.0 -49.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . 0.796 ' HB3' ' CG ' ' A' ' 230' ' ' LYS . 0.8 OUTLIER -59.1 -48.06 82.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 1.034 HD12 ' HB2' ' A' ' 233' ' ' ALA . 0.1 OUTLIER -77.52 31.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' MET . . . . . 0.718 ' SD ' HG12 ' A' ' 339' ' ' VAL . 2.9 mmt -108.76 173.44 6.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' ASN . . . . . 0.725 ' O ' ' CD1' ' A' ' 368' ' ' PHE . 3.0 t-20 -140.19 167.87 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' LYS . . . . . 0.765 ' O ' ' CZ ' ' A' ' 368' ' ' PHE . 0.1 OUTLIER -58.29 -45.24 88.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' ASP . . . . . 0.641 ' HA ' ' NH1' ' A' ' 350' ' ' ARG . 1.6 m-20 -135.45 42.23 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . 0.812 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -175.88 178.22 47.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . 0.718 HG12 ' SD ' ' A' ' 334' ' ' MET . 17.0 m -148.73 129.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 0.936 HD21 ' CD1' ' A' ' 237' ' ' LEU . 1.9 mm? -52.87 127.13 22.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' ILE . . . . . 0.957 HG23 ' HA ' ' A' ' 347' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . 0.699 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 1.066 ' CZ ' HG13 ' A' ' 248' ' ' VAL . 3.2 p90 -178.03 143.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 0.735 . . . . 0.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.527 ' O ' ' HA2' ' A' ' 338' ' ' GLY . 4.1 mtp -91.5 115.08 27.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' THR . . . . . 0.958 HG22 ' CE1' ' A' ' 347' ' ' PHE . 2.3 p -71.56 155.7 40.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.431 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . 0.872 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 0.0 OUTLIER -69.0 -52.92 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 351' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 355' ' ' SER . 8.2 mm-40 -46.81 -19.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 352' ' ' PHE . . . . . 1.071 ' CZ ' HD11 ' A' ' 281' ' ' ILE . 6.5 t80 -89.14 -74.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 353' ' ' LEU . . . . . 0.884 HD21 ' SD ' ' A' ' 364' ' ' MET . 0.3 OUTLIER -41.03 -54.54 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 354' ' ' LYS . . . . . 0.655 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.4 OUTLIER -57.56 -49.2 77.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 1.7 m -51.28 78.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 356' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 354' ' ' LYS . 0.7 OUTLIER 165.81 -159.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 357' ' ' ARG . . . . . 0.616 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.0 OUTLIER -29.95 127.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 358' ' ' LYS . . . . . 0.744 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -44.12 -47.05 23.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 359' ' ' PRO . . . . . 0.744 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.02 -78.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.444 1.76 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 360' ' ' PHE . . . . . 0.797 ' CZ ' ' CD2' ' A' ' 282' ' ' PHE . 2.0 m-85 -45.7 -13.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 361' ' ' GLY . . . . . 0.652 ' C ' ' HA ' ' A' ' 354' ' ' LYS . . . -92.41 45.86 2.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 362' ' ' ASP . . . . . . . . . . . . . 21.5 t0 178.15 58.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 363' ' ' PHE . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -124.95 33.45 5.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 364' ' ' MET . . . . . 0.884 ' SD ' HD21 ' A' ' 353' ' ' LEU . 0.0 OUTLIER -157.03 -42.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 365' ' ' GLU . . . . . 0.872 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 0.8 OUTLIER -46.5 -39.02 12.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.746 ' HD2' ' C ' ' A' ' 364' ' ' MET . 18.2 Cg_endo -74.96 -26.58 10.87 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 367' ' ' LYS . . . . . 0.689 ' HB2' ' HE3' ' A' ' 334' ' ' MET . 11.9 mttt -73.52 -57.03 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 368' ' ' PHE . . . . . 0.765 ' CZ ' ' O ' ' A' ' 336' ' ' LYS . 0.0 OUTLIER -58.97 -50.94 72.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 368' ' ' PHE . 2.0 tt0 -48.19 -52.7 19.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 370' ' ' PHE . . . . . 0.889 ' CD2' HD11 ' A' ' 445' ' ' ILE . 3.3 m-85 -55.5 -35.56 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 371' ' ' ALA . . . . . 0.882 ' CB ' ' HB1' ' A' ' 331' ' ' ALA . . . -64.18 -45.74 87.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -50.71 -21.81 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 373' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 370' ' ' PHE . 0.0 OUTLIER -107.47 -20.97 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 374' ' ' PHE . . . . . 1.07 ' CZ ' HD23 ' A' ' 442' ' ' LEU . 0.7 OUTLIER -89.29 -35.31 16.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . 0.436 HD21 ' HB1' ' A' ' 371' ' ' ALA . 19.4 m120 -49.34 -15.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.501 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -88.75 36.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.822 HD22 ' HG3' ' A' ' 438' ' ' LYS . 1.1 pp -160.52 2.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 378' ' ' GLU . . . . . 0.847 ' OE1' HD13 ' A' ' 384' ' ' LEU . 3.9 mt-10 -104.05 113.24 26.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 425' ' ' HIS . 4.2 mm? -81.96 -111.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 380' ' ' ASP . . . . . 0.601 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 27.9 p30 -106.37 141.16 38.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . 0.476 ' HA ' HD12 ' A' ' 384' ' ' LEU . 8.7 m-20 -35.94 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . 0.6 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 3.3 m -58.71 -61.82 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.046 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . 0.54 ' CG ' ' OD1' ' A' ' 380' ' ' ASP . 4.4 m-20 -60.27 -27.79 67.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.847 HD13 ' OE1' ' A' ' 378' ' ' GLU . 4.2 mt -75.86 -55.25 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . 0.891 ' O ' HG22 ' A' ' 388' ' ' ILE . . . -38.16 -40.87 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.836 ' HA ' HD12 ' A' ' 218' ' ' LEU . 14.5 mt -71.98 -49.0 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 387' ' ' PHE . . . . . 0.859 ' CE2' HD23 ' A' ' 436' ' ' LEU . 6.9 t80 -39.35 -58.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 388' ' ' ILE . . . . . 0.891 HG22 ' O ' ' A' ' 385' ' ' ALA . 8.1 tt -43.81 -33.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . 0.583 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -74.78 -42.36 58.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.556 HG13 ' NE2' ' A' ' 410' ' ' GLN . 59.0 t -59.35 -11.65 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.992 HG22 HD12 ' A' ' 325' ' ' ILE . 4.2 mp -113.69 -20.68 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 392' ' ' ILE . . . . . 0.672 ' N ' HD11 ' A' ' 325' ' ' ILE . 0.2 OUTLIER -69.08 -52.94 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 1.034 HD23 HD11 ' A' ' 413' ' ' LEU . 3.1 mm? -64.54 53.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 394' ' ' SER . . . . . 0.855 ' CB ' HD11 ' A' ' 400' ' ' LEU . 0.5 OUTLIER 28.49 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 395' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 393' ' ' LEU . . . 55.63 20.18 23.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 396' ' ' ASP . . . . . 0.456 ' HB3' ' NH2' ' A' ' 397' ' ' ARG . 0.3 OUTLIER 167.91 35.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 397' ' ' ARG . . . . . 0.61 ' CG ' ' OG ' ' A' ' 394' ' ' SER . 1.4 mmt180 -118.52 127.54 26.51 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.333 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 133.89 17.17 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.458 1.768 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . 0.734 ' O ' HG21 ' A' ' 316' ' ' THR . . . 91.09 31.46 9.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.855 HD11 ' CB ' ' A' ' 394' ' ' SER . 2.4 mt -78.85 175.14 10.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.878 HD12 ' N ' ' A' ' 313' ' ' ASP . 30.9 mt -117.31 -68.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . 1.058 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 1.4 m120 -106.82 75.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 403' ' ' VAL . . . . . 0.579 ' N ' HD12 ' A' ' 406' ' ' ILE . 1.2 t -65.67 -7.72 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.681 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 12.3 mtmt -78.02 -54.01 1.35 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . 1.058 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -74.97 -38.81 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . 0.88 HD12 ' C ' ' A' ' 402' ' ' ASN . 3.8 mt -57.53 -71.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.21 -23.18 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . 0.681 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 49.5 m-20 -74.72 -51.59 13.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' ILE . . . . . 0.747 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 4.7 mm -56.43 -22.37 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . 0.611 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -74.33 -45.77 45.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -44.12 -25.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . 0.434 ' N ' ' C ' ' A' ' 410' ' ' GLN . 12.5 t30 -84.42 -66.52 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 1.034 HD11 HD23 ' A' ' 393' ' ' LEU . 0.1 OUTLIER -42.85 -41.22 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.522 ' CD2' ' CE2' ' A' ' 432' ' ' PHE . 0.2 OUTLIER -60.12 -48.93 79.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.613 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 39.4 mt-30 -50.46 -55.54 15.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 1.067 ' HB2' HD23 ' A' ' 214' ' ' LEU . . . -52.77 -45.52 67.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . 1.086 HD11 ' HB2' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -49.15 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' GLU . . . . . 1.014 ' H ' HD13 ' A' ' 417' ' ' LEU . 7.2 tm-20 -55.4 -19.1 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 1.199 ' CD1' HD22 ' A' ' 211' ' ' LEU . 0.3 OUTLIER -68.62 -84.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' GLN . . . . . 0.717 ' NE2' ' ND2' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -57.36 -8.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.788 HD13 HD21 ' A' ' 417' ' ' LEU . 9.6 tt -91.89 -50.54 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . 0.6 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 0.7 OUTLIER -71.36 -2.37 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.432 ' CD1' HD21 ' A' ' 211' ' ' LEU . 10.5 mt -104.9 -45.44 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.717 ' ND2' ' NE2' ' A' ' 420' ' ' GLN . 50.9 m-20 -73.41 -9.11 58.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.576 ' CD2' ' HG ' ' A' ' 379' ' ' LEU . 0.0 OUTLIER -167.28 69.28 0.95 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.56 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.6 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.2 Cg_endo -75.05 115.49 4.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 428' ' ' SER . 16.4 pt-20 -174.56 125.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 427' ' ' GLU . 0.3 OUTLIER 84.06 -166.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 431' ' ' LEU . 53.0 m -129.73 154.69 46.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' GLN . . . . . 0.627 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER 39.97 27.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 429' ' ' SER . 34.0 tp -40.13 -43.19 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' PHE . . . . . 1.086 ' HB2' HD11 ' A' ' 417' ' ' LEU . 25.8 p90 -72.58 -37.69 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' ALA . . . . . 0.627 ' HB3' ' HB2' ' A' ' 430' ' ' GLN . . . -56.33 -25.22 48.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -104.25 -17.93 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' LEU . . . . . 0.814 ' O ' HD12 ' A' ' 435' ' ' LEU . 0.1 OUTLIER -82.71 -30.72 28.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.859 HD23 ' CE2' ' A' ' 387' ' ' PHE . 79.9 mt -75.71 -43.9 44.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' GLN . . . . . 0.64 ' O ' HG23 ' A' ' 440' ' ' THR . 3.0 mt-30 -43.43 -16.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.822 ' HG3' HD22 ' A' ' 377' ' ' LEU . 1.3 mmpp? -50.79 -24.66 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' MET . . . . . 0.607 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -28.05 -41.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 437' ' ' GLN . 66.6 p -33.86 -74.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 110.413 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.617 ' O ' HG13 ' A' ' 445' ' ' ILE . 0.2 OUTLIER -57.9 -24.27 56.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' LEU . . . . . 1.07 HD23 ' CZ ' ' A' ' 374' ' ' PHE . 0.1 OUTLIER -73.76 -76.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' ARG . . . . . 0.607 ' N ' ' O ' ' A' ' 439' ' ' MET . 6.9 ttp180 -49.7 -18.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.9 ' O ' HG22 ' A' ' 447' ' ' THR . 7.2 mm-40 -69.65 -65.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.889 HD11 ' CD2' ' A' ' 370' ' ' PHE . 0.3 OUTLIER -43.17 -43.37 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.81 HG22 ' CD2' ' A' ' 327' ' ' TYR . 10.6 t -51.94 -69.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' THR . . . . . 0.9 HG22 ' O ' ' A' ' 444' ' ' GLN . 8.9 t -45.27 -24.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 446' ' ' VAL . 8.0 mt-10 -80.48 -53.41 6.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -43.92 -29.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.538 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' VAL . . . . . 0.956 HG12 ' HB2' ' A' ' 454' ' ' GLN . 4.0 t -86.51 -47.75 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' GLN . . . . . 0.613 ' O ' HG23 ' A' ' 455' ' ' VAL . 44.5 mt-30 -40.15 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 363' ' ' PHE . 7.8 mt -89.43 -57.46 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.618 ' HA ' ' CG1' ' A' ' 456' ' ' ILE . 5.0 tp -70.15 -7.33 40.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' GLN . . . . . 0.956 ' HB2' HG12 ' A' ' 450' ' ' VAL . 2.2 tp60 -94.69 -46.83 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 451' ' ' GLN . 77.3 t -69.85 -14.3 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . 0.928 HD12 ' N ' ' A' ' 457' ' ' LYS . 2.4 pp -99.13 -52.61 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' LYS . . . . . 0.928 ' N ' HD12 ' A' ' 456' ' ' ILE . 0.0 OUTLIER -56.46 -16.39 5.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' LYS . . . . . 0.74 ' HG3' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -113.68 -22.1 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 459' ' ' THR . 3.0 m -153.89 56.79 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.2 mm-40 -51.14 172.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -69.61 -29.62 67.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 461' ' ' THR . 3.2 t0 168.97 46.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' MET . . . . . 0.471 ' O ' ' CB ' ' A' ' 464' ' ' SER . 0.5 OUTLIER 59.14 145.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 463' ' ' MET . 0.6 OUTLIER 161.35 44.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.034 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.789 HD23 ' C ' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -138.5 169.72 17.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . 1.077 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 8.1 p80 -119.28 -172.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.618 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . 1.077 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.98 -43.75 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.682 HD12 ' ND1' ' A' ' 466' ' ' HIS . 0.6 OUTLIER -47.04 -18.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 0.0 109.365 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' LEU . . . . . 0.794 HD21 ' CE1' ' A' ' 466' ' ' HIS . 13.5 mt -93.86 -55.64 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -47.51 -29.37 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 467' ' ' PRO . 35.5 mt-10 -75.72 -51.5 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.1 mm -46.33 -57.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' TYR . . . . . 0.537 ' CZ ' ' HD3' ' A' ' 457' ' ' LYS . 1.4 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 210' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 214' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.865 HD11 ' CB ' ' A' ' 416' ' ' ALA . 0.2 OUTLIER -40.88 -63.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 212' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 215' ' ' ALA . 9.7 mmt180 -56.05 -37.91 69.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -69.89 -60.51 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 214' ' ' LEU . . . . . 0.673 ' N ' ' O ' ' A' ' 210' ' ' ASP . 0.3 OUTLIER -49.53 -34.3 17.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 215' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 217' ' ' HIS . . . -53.1 -70.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . 0.803 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -35.59 -34.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 217' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 220' ' ' ASP . 40.4 t60 -69.43 -66.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.646 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.805 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 0.1 OUTLIER -34.33 -56.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 219' ' ' TYR . . . . . 1.069 ' CE1' ' HA ' ' A' ' 382' ' ' SER . 59.9 m-85 -73.56 -26.41 60.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . 0.803 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 9.2 t0 -56.83 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 221' ' ' SER . . . . . 0.583 ' HB3' ' CB ' ' A' ' 302' ' ' SER . 14.6 t -53.0 -27.38 18.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 222' ' ' TYR . . . . . 0.811 ' CD2' ' CE2' ' A' ' 299' ' ' TYR . 0.8 OUTLIER -74.91 -47.3 30.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 111.036 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 223' ' ' ILE . . . . . 0.599 ' N ' ' O ' ' A' ' 219' ' ' TYR . 1.1 mp -55.96 -10.66 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 220' ' ' ASP . 1.2 mptp? -98.0 -44.7 6.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . 0.58 ' OG ' ' O ' ' A' ' 295' ' ' GLU . 43.3 t -62.91 -84.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 226' ' ' PHE . . . . . 0.625 ' CZ ' ' HB3' ' A' ' 228' ' ' LEU . 6.1 t80 -113.42 96.47 39.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 227' ' ' PRO . . . . . 0.632 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.2 Cg_endo -75.02 -18.92 18.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.639 HD12 HD13 ' A' ' 333' ' ' LEU . 0.9 OUTLIER -61.85 65.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . 0.632 ' N ' ' O ' ' A' ' 227' ' ' PRO . 12.4 p -86.64 -162.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . 0.6 ' HG2' HD11 ' A' ' 384' ' ' LEU . 0.0 OUTLIER -80.34 -27.08 38.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . 0.474 ' HB3' ' OD2' ' A' ' 381' ' ' ASP . . . -78.87 -42.09 28.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 232' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 227' ' ' PRO . 3.9 mttp -74.72 -36.81 62.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 233' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 229' ' ' THR . . . -69.84 -42.66 73.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.826 ' NH1' HD13 ' A' ' 237' ' ' LEU . 0.0 OUTLIER -77.73 -4.8 48.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . 1.044 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -83.24 -56.32 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.615 HD11 ' CD1' ' A' ' 340' ' ' LEU . 19.8 pt -73.3 -35.2 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 237' ' ' LEU . . . . . 0.826 HD13 ' NH1' ' A' ' 234' ' ' ARG . 12.7 mt -54.17 -29.45 45.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 238' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 237' ' ' LEU . 1.4 t 176.63 25.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.443 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . 1.044 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . 0.776 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 111.045 -0.406 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 247' ' ' PHE . . . . . 0.638 ' C ' ' O ' ' A' ' 246' ' ' PRO . 12.3 t80 -11.59 73.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 0.999 HG13 ' CZ ' ' A' ' 347' ' ' PHE . 2.8 t -50.49 139.03 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 249' ' ' ILE . . . . . 0.574 HG22 ' O ' ' A' ' 249' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 276' ' ' GLU . . . . . 0.756 ' OE2' ' HB3' ' A' ' 278' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 277' ' ' VAL . . . . . 0.566 HG13 ' NH2' ' A' ' 280' ' ' ARG . 2.8 t -50.47 -32.19 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 278' ' ' ALA . . . . . 0.831 ' HB1' ' O ' ' A' ' 360' ' ' PHE . . . -77.98 -70.25 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 0.612 ' C ' ' O ' ' A' ' 278' ' ' ALA . 0.4 OUTLIER -22.31 -45.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . 0.652 ' N ' ' O ' ' A' ' 278' ' ' ALA . 1.5 ptt180 -75.83 -55.18 5.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 281' ' ' ILE . . . . . 0.639 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.4 OUTLIER -70.93 -44.41 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 282' ' ' PHE . . . . . 0.795 ' CE1' ' CE2' ' A' ' 360' ' ' PHE . 0.1 OUTLIER -51.67 -48.87 63.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 283' ' ' GLN . . . . . 0.539 ' HG3' ' N ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -57.81 -36.07 71.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 284' ' ' GLY . . . . . 0.539 ' N ' ' HG3' ' A' ' 283' ' ' GLN . . . -82.56 -56.45 2.8 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 285' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 353' ' ' LEU . 1.5 m -54.02 -14.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 286' ' ' GLN . . . . . 0.473 ' N ' ' C ' ' A' ' 284' ' ' GLY . 33.5 tp60 -107.55 -24.5 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 287' ' ' PHE . . . . . 0.684 ' HA ' HG22 ' A' ' 290' ' ' VAL . 17.1 t80 -55.07 -28.73 54.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -21.31 65.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 289' ' ' SER . . . . . 0.696 ' HA ' HD13 ' A' ' 326' ' ' ILE . 13.4 t -87.11 -59.59 2.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 290' ' ' VAL . . . . . 0.684 HG22 ' HA ' ' A' ' 287' ' ' PHE . 27.3 m -50.23 -22.84 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . 0.635 ' O ' ' N ' ' A' ' 294' ' ' GLN . 46.2 mt-10 -82.77 -59.19 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . 0.63 ' CB ' HG12 ' A' ' 326' ' ' ILE . . . -31.99 -57.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . 0.605 ' HA ' HD22 ' A' ' 318' ' ' LEU . 1.5 p -43.61 -45.44 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 294' ' ' GLN . . . . . 0.635 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.7 mt-30 -72.16 -26.3 62.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 295' ' ' GLU . . . . . 0.58 ' O ' ' OG ' ' A' ' 225' ' ' SER . 5.7 mt-10 -78.98 -61.58 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . 0.955 HG21 HD12 ' A' ' 392' ' ' ILE . 3.6 mt -40.85 -66.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 297' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 299' ' ' TYR . 0.9 OUTLIER -40.52 -63.41 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 110.434 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.83 -26.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 299' ' ' TYR . . . . . 0.811 ' CE2' ' CD2' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -102.68 -55.68 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 1.032 ' O ' ' N ' ' A' ' 302' ' ' SER . . . -34.11 -49.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -37.66 0.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 302' ' ' SER . . . . . 1.032 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -75.47 -39.86 58.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 303' ' ' ILE . . . . . 0.627 HD13 ' CD2' ' A' ' 393' ' ' LEU . 0.9 OUTLIER -61.81 130.72 92.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 304' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.5 Cg_endo -74.98 48.02 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.427 1.751 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . 0.802 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -169.6 -30.39 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.575 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 52.1 t80 -44.51 -63.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -28.58 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -76.74 -0.52 24.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 1.015 HD11 HD11 ' A' ' 393' ' ' LEU . 25.9 mt -81.79 -71.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 310' ' ' ASP . . . . . 0.809 ' CG ' HD12 ' A' ' 401' ' ' LEU . 6.2 t0 178.23 158.06 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . 0.552 ' H ' HD23 ' A' ' 311' ' ' LEU . 0.2 OUTLIER -73.75 -46.01 48.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 312' ' ' ASN . . . . . 0.846 ' HB2' HD11 ' A' ' 401' ' ' LEU . 21.4 m-80 -81.53 -58.7 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 313' ' ' ASP . . . . . 0.781 ' HB3' ' NE2' ' A' ' 314' ' ' GLN . 50.1 t0 -35.4 -59.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 314' ' ' GLN . . . . . 0.94 ' OE1' HD21 ' A' ' 317' ' ' LEU . 0.0 OUTLIER -60.58 -45.61 93.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 315' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 311' ' ' LEU . 6.6 t -63.65 -36.79 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.893 HG21 ' C ' ' A' ' 399' ' ' GLY . 1.0 OUTLIER -60.89 -61.32 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 317' ' ' LEU . . . . . 0.94 HD21 ' OE1' ' A' ' 314' ' ' GLN . 0.3 OUTLIER -44.54 -47.81 10.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 318' ' ' LEU . . . . . 0.975 HD11 HD11 ' A' ' 392' ' ' ILE . 0.3 OUTLIER -62.61 -50.24 72.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -42.62 -28.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 320' ' ' TYR . . . . . 0.475 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 1.1 m-85 -132.87 5.97 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 321' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -106.17 -45.68 1.24 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.573 1.171 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 322' ' ' VAL . . . . . 0.933 HG22 HD11 ' A' ' 326' ' ' ILE . 4.3 p -39.11 -28.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . 0.513 ' O ' ' CG ' ' A' ' 327' ' ' TYR . 70.7 m-70 -66.21 -44.47 83.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 324' ' ' GLU . . . . . 0.998 ' HA ' ' CE1' ' A' ' 327' ' ' TYR . 23.2 mt-10 -76.15 4.19 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 325' ' ' ILE . . . . . 0.928 HG23 HG12 ' A' ' 388' ' ' ILE . 0.9 OUTLIER -109.77 -44.46 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 326' ' ' ILE . . . . . 0.933 HD11 HG22 ' A' ' 322' ' ' VAL . 3.8 mt -76.29 -37.4 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.998 ' CE1' ' HA ' ' A' ' 324' ' ' GLU . 0.0 OUTLIER -77.5 -5.23 49.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' THR . . . . . 0.918 ' N ' ' HD1' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -87.82 -56.99 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.695 ' SD ' HD11 ' A' ' 333' ' ' LEU . 4.9 ptt? -85.46 -21.03 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.705 ' HB2' ' O ' ' A' ' 326' ' ' ILE . 1.6 mt -39.96 -63.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 331' ' ' ALA . . . . . 1.036 ' HA ' ' HB2' ' A' ' 371' ' ' ALA . . . -30.45 -56.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . 0.56 ' CB ' ' HB2' ' A' ' 230' ' ' LYS . 67.2 m -59.27 -49.58 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.792 ' N ' HD23 ' A' ' 333' ' ' LEU . 0.2 OUTLIER -66.07 -12.46 55.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' MET . . . . . 0.813 ' CE ' ' HB3' ' A' ' 367' ' ' LYS . 5.3 mtp -90.17 174.76 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' ASN . . . . . 0.643 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.7 t-20 -140.45 171.0 14.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' LYS . . . . . 0.643 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -51.06 -57.97 7.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' ASP . . . . . 0.529 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 1.7 m-20 -126.93 37.63 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . 0.801 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -167.82 172.71 42.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . 0.756 HG13 ' CE1' ' A' ' 368' ' ' PHE . 14.2 m -151.94 129.11 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' A' ' 236' ' ' ILE . 0.8 OUTLIER -35.66 157.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' ILE . . . . . 0.803 HG23 ' HA ' ' A' ' 347' ' ' PHE . 3.1 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . 0.604 ' HA3' ' HB3' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 0.999 ' CZ ' HG13 ' A' ' 248' ' ' VAL . 8.1 p90 -160.32 149.43 17.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.593 ' N ' ' CG2' ' A' ' 341' ' ' ILE . 1.4 mmm -97.51 114.61 26.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' THR . . . . . 0.801 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 1.5 p -64.97 154.58 37.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . 0.86 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 21.4 ttm180 -62.52 -51.52 67.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 351' ' ' GLU . . . . . 0.643 ' HA ' ' HD2' ' A' ' 354' ' ' LYS . 29.4 mm-40 -38.61 -24.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 352' ' ' PHE . . . . . 0.548 ' N ' ' O ' ' A' ' 350' ' ' ARG . 0.3 OUTLIER -88.15 -68.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 353' ' ' LEU . . . . . 0.812 HD11 ' CZ ' ' A' ' 368' ' ' PHE . 0.2 OUTLIER -54.63 -22.67 14.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 354' ' ' LYS . . . . . 0.643 ' HD2' ' HA ' ' A' ' 351' ' ' GLU . 0.1 OUTLIER -85.27 -43.77 13.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . 0.765 ' O ' HD23 ' A' ' 356' ' ' LEU . 9.6 m -66.88 72.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 356' ' ' LEU . . . . . 0.99 ' HB2' ' CA ' ' A' ' 361' ' ' GLY . 4.1 mt -141.87 -120.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 357' ' ' ARG . . . . . 0.861 ' H ' ' HA3' ' A' ' 361' ' ' GLY . 19.7 ptt180 -124.79 156.2 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 358' ' ' LYS . . . . . 0.821 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -29.06 -64.87 0.17 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 359' ' ' PRO . . . . . 1.161 ' O ' ' N ' ' A' ' 361' ' ' GLY . 18.3 Cg_endo -75.0 172.76 15.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.77 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 360' ' ' PHE . . . . . 0.831 ' O ' ' HB1' ' A' ' 278' ' ' ALA . 0.1 OUTLIER -0.67 44.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 111.023 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 361' ' ' GLY . . . . . 1.161 ' N ' ' O ' ' A' ' 359' ' ' PRO . . . -141.48 -25.07 0.21 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 362' ' ' ASP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 354' ' ' LYS . 0.7 OUTLIER -154.21 48.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 363' ' ' PHE . . . . . 0.99 ' CG ' HD11 ' A' ' 452' ' ' LEU . 5.2 m-85 -129.09 20.73 5.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 364' ' ' MET . . . . . 0.694 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 0.0 OUTLIER -94.2 1.47 56.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 365' ' ' GLU . . . . . 0.86 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 0.1 OUTLIER -61.96 -32.68 10.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.99 -25.08 12.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 367' ' ' LYS . . . . . 0.813 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 2.4 mptt -70.4 -59.28 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 368' ' ' PHE . . . . . 0.812 ' CZ ' HD11 ' A' ' 353' ' ' LEU . 2.4 m-30 -59.63 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -55.27 -45.3 76.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 370' ' ' PHE . . . . . 0.923 ' CZ ' ' HB2' ' A' ' 331' ' ' ALA . 0.1 OUTLIER -50.89 -48.72 60.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 371' ' ' ALA . . . . . 1.036 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -60.1 -47.43 85.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 24.6 t -61.3 -13.26 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.83 -24.44 12.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 374' ' ' PHE . . . . . 0.513 ' HB2' ' CE1' ' A' ' 370' ' ' PHE . 54.9 t80 -90.44 -40.31 12.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . 0.542 ' ND2' ' OE1' ' A' ' 378' ' ' GLU . 1.5 m-80 -55.18 -11.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -89.39 31.06 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 379' ' ' LEU . 1.2 pp -168.79 3.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 378' ' ' GLU . . . . . 0.926 ' C ' HD22 ' A' ' 379' ' ' LEU . 87.6 mt-10 -64.69 162.4 15.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.926 HD22 ' C ' ' A' ' 378' ' ' GLU . 3.7 mm? -134.26 -106.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 380' ' ' ASP . . . . . 0.671 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 0.6 OUTLIER -130.26 147.24 51.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 385' ' ' ALA . 93.6 m-20 -40.65 -29.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . 1.069 ' HA ' ' CE1' ' A' ' 219' ' ' TYR . 0.1 OUTLIER -51.97 -66.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . 0.496 ' OD2' ' CB ' ' A' ' 379' ' ' LEU . 2.5 m-20 -59.74 -28.42 67.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 3.9 mt -74.39 -76.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . 1.036 ' HB3' ' CE1' ' A' ' 219' ' ' TYR . . . -32.13 -62.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 390' ' ' VAL . 3.5 mt -40.3 -68.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 387' ' ' PHE . . . . . 0.577 ' N ' HG22 ' A' ' 386' ' ' ILE . 0.2 OUTLIER -33.57 -50.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 388' ' ' ILE . . . . . 0.928 HG12 HG23 ' A' ' 325' ' ' ILE . 0.0 OUTLIER -47.57 -58.46 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . 0.58 ' N ' HG22 ' A' ' 388' ' ' ILE . . . -58.62 -28.71 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.988 HG22 ' HB2' ' A' ' 413' ' ' LEU . 4.0 t -78.82 -25.29 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.923 HD13 ' O ' ' A' ' 324' ' ' GLU . 17.5 mt -77.09 -25.15 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 392' ' ' ILE . . . . . 0.975 HD11 HD11 ' A' ' 318' ' ' LEU . 0.8 OUTLIER -83.11 -49.5 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 1.015 HD11 HD11 ' A' ' 309' ' ' LEU . 0.1 OUTLIER -69.22 15.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 394' ' ' SER . . . . . 0.613 ' H ' ' C ' ' A' ' 392' ' ' ILE . 63.6 m -92.39 111.28 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 395' ' ' GLY . . . . . 0.762 ' HA3' HG22 ' A' ' 403' ' ' VAL . . . -82.21 68.31 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 396' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -106.77 -21.57 12.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 397' ' ' ARG . . . . . 0.535 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -66.48 125.66 90.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 6.56 3.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . 0.893 ' C ' HG21 ' A' ' 316' ' ' THR . . . -125.81 34.93 3.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.737 HD22 HD23 ' A' ' 317' ' ' LEU . 27.7 mt -92.33 168.86 11.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.846 HD11 ' HB2' ' A' ' 312' ' ' ASN . 25.8 mt -108.4 -64.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . 1.282 ' O ' HD13 ' A' ' 406' ' ' ILE . 1.7 m120 -109.24 93.8 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 403' ' ' VAL . . . . . 0.762 HG22 ' HA3' ' A' ' 395' ' ' GLY . 1.0 OUTLIER -85.59 -5.81 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.54 ' N ' ' CD ' ' A' ' 405' ' ' PRO . 0.0 OUTLIER -81.87 -50.16 0.88 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . 0.75 ' CG ' ' HB3' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.0 -19.71 17.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . 1.282 HD13 ' O ' ' A' ' 402' ' ' ASN . 0.5 OUTLIER -81.14 -46.84 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -74.49 -18.48 60.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . 0.484 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 86.9 m-20 -81.75 -51.05 8.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' ILE . . . . . 0.63 HG22 ' HG ' ' A' ' 393' ' ' LEU . 19.7 mm -61.21 -23.3 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . 0.78 ' CB ' ' HB3' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -82.65 -37.53 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.348 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.14 -23.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.8 OUTLIER -87.66 -56.36 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.988 ' HB2' HG22 ' A' ' 390' ' ' VAL . 1.1 mt -49.68 -40.78 41.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.767 HD12 HG11 ' A' ' 390' ' ' VAL . 7.2 tp -62.19 -53.48 54.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 39.8 mt-30 -46.0 -47.73 16.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.865 ' CB ' HD11 ' A' ' 211' ' ' LEU . . . -54.89 -54.82 37.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . 1.007 ' C ' HD22 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -41.14 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' GLU . . . . . 0.919 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.2 OUTLIER -52.14 -28.52 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.82 HD13 ' HG ' ' A' ' 211' ' ' LEU . 3.5 tt -69.16 -77.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' GLN . . . . . 0.73 ' N ' HD23 ' A' ' 419' ' ' LEU . 0.0 OUTLIER -53.73 -8.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 431' ' ' LEU . 0.6 OUTLIER -89.52 -46.45 8.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . 0.754 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 1.5 mmtt -79.39 6.03 11.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.601 HD11 ' HG ' ' A' ' 419' ' ' LEU . 10.5 mt -119.08 -39.37 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.667 HD22 ' NE2' ' A' ' 420' ' ' GLN . 45.0 p-10 -82.6 -13.09 57.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.663 ' CD2' ' OD1' ' A' ' 424' ' ' ASN . 13.9 p80 177.33 71.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.754 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.1 Cg_endo -75.02 140.96 26.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -129.36 13.97 6.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.88 67.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 13.9 t -166.71 -142.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' GLN . . . . . 0.706 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -113.64 30.08 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . 0.656 ' HB3' HD21 ' A' ' 421' ' ' LEU . 20.1 tp -37.41 -31.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' PHE . . . . . 0.857 ' CD1' HD11 ' A' ' 417' ' ' LEU . 0.2 OUTLIER -85.99 -50.3 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' ALA . . . . . 0.706 ' HB3' ' HB2' ' A' ' 430' ' ' GLN . . . -48.19 -21.84 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . 0.545 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.5 OUTLIER -96.91 -48.15 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' LEU . . . . . 0.605 HD12 ' CD1' ' A' ' 421' ' ' LEU . 0.5 OUTLIER -39.8 -37.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.799 HD23 ' CE1' ' A' ' 432' ' ' PHE . 2.6 pp -77.75 -45.38 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' GLN . . . . . 0.675 ' O ' HG23 ' A' ' 440' ' ' THR . 1.0 OUTLIER -48.18 -12.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 440' ' ' THR . 0.1 OUTLIER -52.89 -22.46 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' MET . . . . . 0.648 ' HA ' ' HB2' ' A' ' 442' ' ' LEU . 0.0 OUTLIER -31.1 -33.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 437' ' ' GLN . 71.8 p -35.03 -100.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.747 ' O ' ' CD1' ' A' ' 445' ' ' ILE . 0.0 OUTLIER -52.02 -22.83 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' LEU . . . . . 0.982 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 0.1 OUTLIER -64.63 -86.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 439' ' ' MET . 2.6 ttt180 -53.48 -9.7 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.771 ' O ' HG22 ' A' ' 447' ' ' THR . 5.0 mm-40 -70.98 -88.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.747 ' CD1' ' O ' ' A' ' 441' ' ' ASP . 0.0 OUTLIER -36.99 -46.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 447' ' ' THR . 2.5 t -48.17 -69.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' THR . . . . . 0.771 HG22 ' O ' ' A' ' 444' ' ' GLN . 14.5 t -51.2 -19.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -53.56 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' HIS . . . . . 0.706 ' CD2' HG23 ' A' ' 450' ' ' VAL . 0.0 OUTLIER -44.01 -33.95 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.603 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' VAL . . . . . 0.706 HG23 ' CD2' ' A' ' 449' ' ' HIS . 39.6 t -83.57 -51.22 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -23.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.99 HD11 ' CG ' ' A' ' 363' ' ' PHE . 11.0 mt -85.4 -72.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.525 ' HA ' HG22 ' A' ' 456' ' ' ILE . 0.2 OUTLIER -57.8 -16.75 12.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' GLN . . . . . 0.615 ' N ' ' O ' ' A' ' 450' ' ' VAL . 11.6 tt0 -80.07 -56.55 4.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 455' ' ' VAL . 48.3 t -70.6 -0.21 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . 0.827 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -107.22 -60.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' LYS . . . . . 0.623 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 3.1 pttt -45.41 -24.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 1.1 mmmm -99.51 -39.36 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.19 47.19 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.827 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.2 mm-40 -42.68 132.25 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.524 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -37.07 -30.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.369 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 461' ' ' THR . 2.1 t70 168.2 59.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' MET . . . . . 0.448 ' O ' ' CB ' ' A' ' 464' ' ' SER . 7.2 ttt 61.35 131.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 463' ' ' MET . 0.5 OUTLIER 163.76 83.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.76 HD23 ' C ' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -166.23 167.13 16.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . 0.976 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 32.2 p80 -116.81 -176.0 0.35 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . 0.976 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.91 -53.42 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.43 ' O ' ' CG1' ' A' ' 472' ' ' ILE . 10.3 mt -56.42 -8.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' LEU . . . . . 0.615 ' HG ' HD12 ' A' ' 465' ' ' LEU . 2.0 tp -87.73 -56.04 3.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.26 -29.83 67.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 467' ' ' PRO . 39.7 mt-10 -72.79 -69.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . 0.798 HD12 ' N ' ' A' ' 473' ' ' TYR . 2.6 pp -37.92 -57.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' TYR . . . . . 0.798 ' N ' HD12 ' A' ' 472' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 210' ' ' ASP . . . . . 0.61 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.971 HD21 ' HB3' ' A' ' 415' ' ' GLN . 0.1 OUTLIER -40.14 -54.37 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 212' ' ' ARG . . . . . 0.468 ' NH1' ' HB2' ' A' ' 420' ' ' GLN . 3.0 tpm_? -73.8 -27.15 60.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . 0.61 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -67.54 -57.06 7.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 214' ' ' LEU . . . . . 0.494 ' O ' ' HB3' ' A' ' 217' ' ' HIS . 0.5 OUTLIER -46.43 -45.87 18.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -46.61 -61.68 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . 0.564 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -45.43 -32.1 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 217' ' ' HIS . . . . . 0.592 ' HA ' ' HB2' ' A' ' 220' ' ' ASP . 57.0 t60 -71.69 -67.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.633 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 1.004 HD12 HG23 ' A' ' 386' ' ' ILE . 2.9 mt -38.46 -57.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 219' ' ' TYR . . . . . 0.631 ' CD2' ' CB ' ' A' ' 385' ' ' ALA . 4.7 t80 -67.88 -27.59 66.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . 0.86 ' O ' HG22 ' A' ' 223' ' ' ILE . 0.4 OUTLIER -60.09 -74.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 221' ' ' SER . . . . . 0.588 ' CB ' ' HB3' ' A' ' 302' ' ' SER . 13.3 t -54.89 -25.36 28.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 222' ' ' TYR . . . . . 0.87 ' CD1' ' CD2' ' A' ' 299' ' ' TYR . 0.7 OUTLIER -78.1 -47.02 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 223' ' ' ILE . . . . . 1.162 HD13 ' O ' ' A' ' 223' ' ' ILE . 0.0 OUTLIER -56.87 -12.48 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . 0.619 ' HD2' HG23 ' A' ' 223' ' ' ILE . 2.8 mptp? -95.9 -42.12 8.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . 0.598 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 34.4 t -58.0 -80.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 226' ' ' PHE . . . . . 0.844 ' CE1' ' CE1' ' A' ' 222' ' ' TYR . 0.7 OUTLIER -112.46 110.54 52.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -30.09 7.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 340' ' ' LEU . 0.0 OUTLIER -63.69 114.35 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . 0.549 HG22 ' CZ ' ' A' ' 226' ' ' PHE . 34.0 p -133.34 -165.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . 0.767 ' HD3' ' CD1' ' A' ' 384' ' ' LEU . 3.4 mtmm -77.43 -24.45 50.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . 0.536 ' HB3' ' OD2' ' A' ' 381' ' ' ASP . . . -78.78 -41.43 30.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 232' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 235' ' ' ALA . 0.8 OUTLIER -72.05 -42.33 66.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 233' ' ' ALA . . . . . 1.081 ' HB1' HD23 ' A' ' 340' ' ' LEU . . . -64.69 -47.81 77.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.879 ' NH1' HD22 ' A' ' 237' ' ' LEU . 0.0 OUTLIER -73.13 -2.7 22.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . 0.929 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -81.25 -69.66 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.433 HG13 ' HB3' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -59.3 -38.09 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 237' ' ' LEU . . . . . 0.879 HD22 ' NH1' ' A' ' 234' ' ' ARG . 0.1 OUTLIER -57.22 -36.25 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 238' ' ' THR . . . . . 0.648 ' O ' ' C ' ' A' ' 239' ' ' GLY . 1.1 t -152.03 -39.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . 0.929 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . 0.683 ' C ' ' HA2' ' A' ' 346' ' ' GLY . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 247' ' ' PHE . . . . . 0.742 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -1.06 71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 0.964 HG23 ' CZ ' ' A' ' 347' ' ' PHE . 8.8 p -55.35 144.25 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 249' ' ' ILE . . . . . 0.7 ' O ' HG23 ' A' ' 349' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 276' ' ' GLU . . . . . 0.865 ' OE1' ' HB3' ' A' ' 278' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 277' ' ' VAL . . . . . 0.697 HG12 ' CD2' ' A' ' 356' ' ' LEU . 61.4 t -39.1 -42.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 278' ' ' ALA . . . . . 0.865 ' HB3' ' OE1' ' A' ' 276' ' ' GLU . . . -60.69 -81.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 0.654 HD11 ' HA ' ' A' ' 465' ' ' LEU . 0.4 OUTLIER -23.55 -39.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . 0.727 ' N ' ' O ' ' A' ' 278' ' ' ALA . 7.8 mtp180 -77.53 -64.9 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 281' ' ' ILE . . . . . 1.014 HD11 ' CE2' ' A' ' 352' ' ' PHE . 0.2 OUTLIER -62.5 -43.31 98.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 282' ' ' PHE . . . . . 0.816 ' CD1' ' CE1' ' A' ' 360' ' ' PHE . 0.1 OUTLIER -49.91 -51.32 41.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 283' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 0.0 OUTLIER -58.03 -34.43 70.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 284' ' ' GLY . . . . . 0.505 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -85.49 -53.99 2.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 285' ' ' CYS . . . . . 0.634 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.7 OUTLIER -47.9 -18.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 286' ' ' GLN . . . . . 0.505 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -110.13 -27.7 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 287' ' ' PHE . . . . . 0.661 ' CE1' ' CG ' ' A' ' 291' ' ' GLU . 11.9 t80 -51.01 -31.36 17.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -22.61 64.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 12.0 t -89.3 -56.14 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 290' ' ' VAL . . . . . 0.59 HG22 ' HA ' ' A' ' 287' ' ' PHE . 2.8 m -54.05 -20.17 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . 0.661 ' CG ' ' CE1' ' A' ' 287' ' ' PHE . 29.4 mt-10 -83.05 -61.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . 0.904 ' O ' HD12 ' A' ' 296' ' ' ILE . . . -33.62 -58.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . 0.48 HG13 ' HG2' ' A' ' 294' ' ' GLN . 2.5 p -41.93 -45.29 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 294' ' ' GLN . . . . . 0.598 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.0 mt-30 -71.5 -27.57 63.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 295' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.6 mt-10 -77.7 -56.97 4.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . 0.904 HD12 ' O ' ' A' ' 292' ' ' ALA . 3.6 mp -41.83 -67.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 297' ' ' THR . . . . . 0.449 ' C ' ' N ' ' A' ' 299' ' ' TYR . 0.9 OUTLIER -40.22 -63.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.39 -25.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 299' ' ' TYR . . . . . 0.87 ' CD2' ' CD1' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -103.41 -55.53 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.958 ' HB1' ' CD2' ' A' ' 306' ' ' PHE . . . -35.01 -49.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 301' ' ' LYS . . . . . 0.585 ' HA ' HG22 ' A' ' 307' ' ' VAL . 58.5 mttt -35.41 -8.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 302' ' ' SER . . . . . 0.955 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -68.36 -50.85 50.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 303' ' ' ILE . . . . . 0.853 HG21 HD21 ' A' ' 413' ' ' LEU . 0.0 OUTLIER -58.3 127.69 81.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 16.99 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . 0.602 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -132.3 -24.71 0.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.958 ' CD2' ' HB1' ' A' ' 300' ' ' ALA . 12.0 t80 -58.42 -60.77 3.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 0.755 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 307' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -69.08 -20.37 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -74.03 -13.46 60.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.775 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.6 mt -68.59 -111.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 310' ' ' ASP . . . . . 0.67 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -139.71 151.84 46.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 311' ' ' LEU . 0.1 OUTLIER -53.61 -46.19 70.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 312' ' ' ASN . . . . . 0.863 ' O ' ' N ' ' A' ' 316' ' ' THR . 3.4 m-80 -82.35 -59.66 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 313' ' ' ASP . . . . . 1.047 ' OD1' HD11 ' A' ' 406' ' ' ILE . 44.5 t0 -31.92 -52.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 314' ' ' GLN . . . . . 0.684 ' HA ' HD21 ' A' ' 317' ' ' LEU . 24.0 mt-30 -59.78 -53.45 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 315' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 312' ' ' ASN . 91.2 t -71.95 -33.59 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 1.112 HG22 ' O ' ' A' ' 399' ' ' GLY . 19.2 m -65.03 -54.56 28.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 317' ' ' LEU . . . . . 0.743 ' HB3' HD22 ' A' ' 400' ' ' LEU . 4.2 pp -52.8 -47.74 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 318' ' ' LEU . . . . . 0.778 HD23 ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -63.98 -43.07 96.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.36 -28.17 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 320' ' ' TYR . . . . . 0.416 ' O ' ' OD2' ' A' ' 396' ' ' ASP . 2.1 m-85 -122.08 3.5 9.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 321' ' ' GLY . . . . . 0.699 ' O ' HD12 ' A' ' 325' ' ' ILE . . . -115.17 -48.53 0.52 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 322' ' ' VAL . . . . . 1.032 HG22 ' CD1' ' A' ' 326' ' ' ILE . 4.7 p -35.43 -31.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . 1.196 ' CD2' HG21 ' A' ' 446' ' ' VAL . 0.0 OUTLIER -63.13 -57.41 10.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.563 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 324' ' ' GLU . . . . . 0.656 ' N ' ' CD2' ' A' ' 323' ' ' HIS . 80.0 mt-10 -64.16 2.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 325' ' ' ILE . . . . . 0.776 HD13 ' CD1' ' A' ' 392' ' ' ILE . 2.3 mp -110.51 -47.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 326' ' ' ILE . . . . . 1.032 ' CD1' HG22 ' A' ' 322' ' ' VAL . 4.9 mt -74.67 -40.37 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 1.083 ' CD2' HG22 ' A' ' 446' ' ' VAL . 9.5 m-85 -76.02 -15.53 60.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' THR . . . . . 0.904 ' HA ' HD21 ' A' ' 442' ' ' LEU . 0.7 OUTLIER -72.2 -56.8 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.453 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.579 ' N ' ' CG2' ' A' ' 328' ' ' THR . 7.8 ptp -89.47 -12.76 39.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.629 ' CB ' ' O ' ' A' ' 326' ' ' ILE . 1.6 mt -49.4 -53.66 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 331' ' ' ALA . . . . . 0.858 ' HB1' ' HA ' ' A' ' 371' ' ' ALA . . . -34.64 -52.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . 0.65 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 6.0 m -59.75 -45.65 91.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.917 HD13 ' HB2' ' A' ' 233' ' ' ALA . 3.7 mm? -58.72 -13.94 7.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' MET . . . . . 0.728 ' CE ' ' HB3' ' A' ' 367' ' ' LYS . 2.0 mmt -76.58 173.0 12.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' ASN . . . . . 0.761 ' HA ' HD21 ' A' ' 237' ' ' LEU . 0.1 OUTLIER -141.46 9.55 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER 80.41 -41.32 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' ASP . . . . . 0.453 ' C ' ' H ' ' A' ' 350' ' ' ARG . 0.1 OUTLIER -125.24 10.34 8.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . 0.713 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -171.21 173.41 44.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . 0.641 ' O ' ' HB2' ' A' ' 347' ' ' PHE . 3.8 p -136.44 151.54 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 1.081 HD23 ' HB1' ' A' ' 233' ' ' ALA . 0.4 OUTLIER -69.43 124.33 23.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' ILE . . . . . 0.695 HG23 ' HA ' ' A' ' 347' ' ' PHE . 1.3 pt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . 0.742 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 0.964 ' CZ ' HG23 ' A' ' 248' ' ' VAL . 0.1 OUTLIER -177.68 138.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.668 ' HE2' HG21 ' A' ' 249' ' ' ILE . 11.4 ttm -93.42 121.88 35.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' THR . . . . . 0.788 HG22 ' CE1' ' A' ' 347' ' ' PHE . 1.6 p -71.32 153.65 42.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.407 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . 0.88 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 7.8 ttm180 -63.83 -55.84 19.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 351' ' ' GLU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 0.0 OUTLIER -35.84 -25.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 352' ' ' PHE . . . . . 1.014 ' CE2' HD11 ' A' ' 281' ' ' ILE . 1.8 t80 -89.63 -51.47 5.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 353' ' ' LEU . . . . . 0.889 ' O ' ' O ' ' A' ' 361' ' ' GLY . 0.2 OUTLIER -67.19 -21.87 65.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 354' ' ' LYS . . . . . 0.856 ' HA ' ' O ' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -91.84 -33.62 14.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . 1.045 ' O ' HD23 ' A' ' 356' ' ' LEU . 9.2 t -70.42 73.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 356' ' ' LEU . . . . . 1.045 HD23 ' O ' ' A' ' 355' ' ' SER . 0.2 OUTLIER -152.3 -152.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 357' ' ' ARG . . . . . 0.656 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -69.32 153.52 43.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 358' ' ' LYS . . . . . 0.808 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.81 -55.45 1.23 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 359' ' ' PRO . . . . . 0.808 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.4 Cg_endo -74.97 -84.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 360' ' ' PHE . . . . . 0.816 ' CE1' ' CD1' ' A' ' 282' ' ' PHE . 0.5 OUTLIER -63.55 32.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 361' ' ' GLY . . . . . 1.003 ' HA2' ' HB2' ' A' ' 356' ' ' LEU . . . -87.39 -43.34 5.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 362' ' ' ASP . . . . . 0.61 ' CA ' ' HA ' ' A' ' 354' ' ' LYS . 7.1 p-10 -148.96 96.88 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 363' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -103.25 0.06 31.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 110.983 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 364' ' ' MET . . . . . 0.537 ' HG2' ' CE1' ' A' ' 363' ' ' PHE . 0.2 OUTLIER -121.24 -5.8 9.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 365' ' ' GLU . . . . . 0.88 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 2.4 tp10 -65.12 -41.23 51.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -75.02 -24.96 12.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 367' ' ' LYS . . . . . 0.728 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 0.0 OUTLIER -76.5 -33.91 58.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 368' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 339' ' ' VAL . 6.7 m-30 -68.71 -53.94 19.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.23 -46.99 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 370' ' ' PHE . . . . . 0.838 ' CG ' HD11 ' A' ' 445' ' ' ILE . 2.1 m-85 -61.02 -38.23 85.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 371' ' ' ALA . . . . . 0.858 ' HA ' ' HB1' ' A' ' 331' ' ' ALA . . . -59.6 -46.19 89.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 372' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 336' ' ' LYS . 30.7 t -67.39 -9.07 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 373' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -104.14 -27.8 11.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 374' ' ' PHE . . . . . 0.635 ' CZ ' ' CG ' ' A' ' 441' ' ' ASP . 0.1 OUTLIER -92.17 -35.6 13.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . 0.4 ' C ' ' H ' ' A' ' 377' ' ' LEU . 1.0 OUTLIER -49.7 -15.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.487 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -84.98 31.19 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 0.8 OUTLIER -174.69 4.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 378' ' ' GLU . . . . . 0.502 ' HB3' ' HE3' ' A' ' 230' ' ' LYS . 1.8 mt-10 -78.37 134.49 37.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 1.061 HD11 ' CD1' ' A' ' 435' ' ' LEU . 0.3 OUTLIER -84.69 -148.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 380' ' ' ASP . . . . . 0.471 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 54.3 p30 -110.14 148.07 32.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . 0.536 ' OD2' ' HB3' ' A' ' 231' ' ' ALA . 0.5 OUTLIER -41.91 -26.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . 0.482 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 0.1 OUTLIER -60.39 -55.87 28.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . 0.497 ' OD1' ' ND2' ' A' ' 424' ' ' ASN . 3.1 m-20 -71.91 -17.64 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.767 ' CD1' ' HD3' ' A' ' 230' ' ' LYS . 6.5 mt -84.88 -49.72 8.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . 0.634 ' HA ' ' CE2' ' A' ' 222' ' ' TYR . . . -36.97 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 1.004 HG23 HD12 ' A' ' 218' ' ' LEU . 1.8 mt -92.88 -39.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 387' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 384' ' ' LEU . 26.4 t80 -41.55 -42.33 2.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 388' ' ' ILE . . . . . 0.813 HD11 HG12 ' A' ' 296' ' ' ILE . 12.7 tt -44.11 -61.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . 0.895 ' CB ' HD13 ' A' ' 413' ' ' LEU . . . -60.47 -28.23 68.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.582 ' HA ' ' CD ' ' A' ' 410' ' ' GLN . 76.4 t -69.7 -14.94 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.626 HG22 ' CD1' ' A' ' 325' ' ' ILE . 2.0 mm -119.87 5.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 392' ' ' ILE . . . . . 0.776 ' CD1' HD13 ' A' ' 325' ' ' ILE . 0.0 OUTLIER -116.43 -62.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.874 ' CB ' ' HG3' ' A' ' 410' ' ' GLN . 0.7 OUTLIER -65.24 24.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 394' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 392' ' ' ILE . 1.3 m -121.91 144.92 48.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 395' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 396' ' ' ASP . . . -64.63 63.47 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 396' ' ' ASP . . . . . 0.625 ' C ' ' HE ' ' A' ' 397' ' ' ARG . 1.0 OUTLIER -36.0 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 397' ' ' ARG . . . . . 0.806 ' CB ' ' CD ' ' A' ' 398' ' ' PRO . 0.0 OUTLIER -149.36 -165.16 0.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . 0.806 ' CD ' ' CB ' ' A' ' 397' ' ' ARG . 18.2 Cg_endo -75.01 40.29 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . 1.112 ' O ' HG22 ' A' ' 316' ' ' THR . . . -127.18 55.02 0.76 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.783 ' O ' HD23 ' A' ' 401' ' ' LEU . 0.2 OUTLIER -148.74 -177.4 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.783 HD23 ' O ' ' A' ' 400' ' ' LEU . 14.6 mt -125.01 -58.14 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . 0.745 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 1.8 m120 -106.66 84.39 2.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 403' ' ' VAL . . . . . 0.818 ' HA ' HD12 ' A' ' 406' ' ' ILE . 1.2 t -76.13 -16.75 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.708 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.5 OUTLIER -67.78 -52.75 24.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . 0.745 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -74.99 -17.83 19.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . 1.047 HD11 ' OD1' ' A' ' 313' ' ' ASP . 68.6 mt -69.04 -85.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' GLU . . . . . 0.485 ' N ' HG22 ' A' ' 406' ' ' ILE . 3.6 tt0 -49.08 -18.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . 0.708 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 16.3 m-20 -76.28 -62.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' ILE . . . . . 0.723 HG22 ' HG ' ' A' ' 393' ' ' LEU . 20.1 mm -52.6 -27.95 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . 0.874 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -71.17 -42.12 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 410' ' ' GLN . 7.4 t70 -35.34 -33.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 410' ' ' GLN . 1.6 t30 -87.29 -50.17 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.895 HD13 ' CB ' ' A' ' 389' ' ' ALA . 1.2 mt -55.92 -40.11 72.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.897 HD23 HD12 ' A' ' 417' ' ' LEU . 0.7 OUTLIER -60.66 -47.27 86.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.971 ' HB3' HD21 ' A' ' 211' ' ' LEU . 41.1 mt-30 -52.36 -66.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.547 ' HA ' ' CD1' ' A' ' 211' ' ' LEU . . . -44.85 -45.43 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . 1.005 ' C ' HD22 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -49.0 -80.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' GLU . . . . . 0.903 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.2 OUTLIER -54.75 -25.33 27.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.936 HD13 ' HG ' ' A' ' 211' ' ' LEU . 0.6 OUTLIER -67.93 -77.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' GLN . . . . . 0.6 HE21 ' ND2' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -43.85 -28.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.979 HD11 HD11 ' A' ' 431' ' ' LEU . 0.0 OUTLIER -83.02 -41.37 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . 0.66 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 6.1 ttmt -78.58 8.38 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.807 HD11 ' HG ' ' A' ' 419' ' ' LEU . 17.5 mt -120.04 -43.96 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.662 ' OD1' ' CD2' ' A' ' 425' ' ' HIS . 49.4 p-10 -78.64 -12.82 60.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.662 ' CD2' ' OD1' ' A' ' 424' ' ' ASN . 28.3 p80 174.93 74.63 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.605 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.66 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.99 162.82 36.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -141.15 -85.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' SER . . . . . 0.472 ' O ' ' CE ' ' A' ' 422' ' ' LYS . 0.1 OUTLIER -120.67 -157.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' SER . . . . . 0.46 ' C ' ' N ' ' A' ' 431' ' ' LEU . 0.6 OUTLIER -92.58 155.54 17.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 110.011 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 433' ' ' ALA . 0.0 OUTLIER 42.55 23.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.255 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . 0.979 HD11 HD11 ' A' ' 421' ' ' LEU . 0.0 OUTLIER -42.93 -27.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' PHE . . . . . 0.86 ' HB2' HD11 ' A' ' 417' ' ' LEU . 34.0 p90 -86.92 -38.95 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' ALA . . . . . 0.622 ' HA ' HD21 ' A' ' 436' ' ' LEU . . . -45.84 -27.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . 0.522 ' CD ' ' N ' ' A' ' 435' ' ' LEU . 0.0 OUTLIER -99.45 -47.26 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' LEU . . . . . 1.061 ' CD1' HD11 ' A' ' 379' ' ' LEU . 0.3 OUTLIER -47.14 -33.95 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.622 HD21 ' HA ' ' A' ' 433' ' ' ALA . 4.2 pp -75.49 -45.76 36.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' GLN . . . . . 0.538 ' C ' ' HG3' ' A' ' 439' ' ' MET . 2.4 mt-30 -48.61 -11.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.569 ' O ' ' N ' ' A' ' 440' ' ' THR . 0.0 OUTLIER -49.39 -25.73 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' MET . . . . . 0.619 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -24.18 -44.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 438' ' ' LYS . 64.1 p -33.85 -78.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.382 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.757 ' O ' HG13 ' A' ' 445' ' ' ILE . 0.0 OUTLIER -57.75 -21.66 42.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' LEU . . . . . 0.904 HD21 ' HA ' ' A' ' 328' ' ' THR . 0.2 OUTLIER -72.85 -73.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 439' ' ' MET . 0.1 OUTLIER -57.24 -10.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.757 ' O ' HG22 ' A' ' 447' ' ' THR . 2.3 mm100 -74.75 -71.04 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.838 HD11 ' CG ' ' A' ' 370' ' ' PHE . 0.1 OUTLIER -50.01 -29.88 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 1.196 HG21 ' CD2' ' A' ' 323' ' ' HIS . 26.3 t -67.86 -65.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 444' ' ' GLN . 9.0 t -47.74 -23.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -53.18 6.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' HIS . . . . . 0.751 ' O ' HD23 ' A' ' 453' ' ' LEU . 0.0 OUTLIER -48.63 -28.14 3.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' VAL . . . . . 0.691 ' O ' ' N ' ' A' ' 454' ' ' GLN . 34.1 t -86.53 -50.64 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' GLN . . . . . 0.573 ' O ' HG23 ' A' ' 455' ' ' VAL . 0.3 OUTLIER -42.99 -26.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.69 HD22 ' HA ' ' A' ' 359' ' ' PRO . 8.3 mt -87.69 -68.09 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.916 HD12 ' HE2' ' A' ' 457' ' ' LYS . 1.3 pp -59.9 -14.44 15.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' GLN . . . . . 0.691 ' N ' ' O ' ' A' ' 450' ' ' VAL . 2.0 tt0 -85.03 -48.87 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 451' ' ' GLN . 75.6 t -73.02 -6.0 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . 1.015 ' O ' ' N ' ' A' ' 460' ' ' GLU . 1.4 tp -102.84 -61.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' LYS . . . . . 0.916 ' HE2' HD12 ' A' ' 453' ' ' LEU . 0.1 OUTLIER -41.37 -37.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 8.8 mmmt -83.82 -41.52 17.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 459' ' ' THR . 2.2 m -124.18 43.36 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.38 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 1.015 ' N ' ' O ' ' A' ' 456' ' ' ILE . 8.6 mm-40 -41.78 131.29 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.443 ' H ' HD11 ' A' ' 456' ' ' ILE . 0.4 OUTLIER -39.96 -28.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 460' ' ' GLU . 2.0 t70 173.25 68.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 56.2 tpp 62.15 145.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 460' ' ' GLU . 46.3 t -158.5 151.7 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.902 HD23 HD13 ' A' ' 469' ' ' LEU . 0.2 OUTLIER 38.28 -117.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . 0.907 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 10.2 p80 -162.51 -175.58 0.5 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . 0.907 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.2 Cg_endo -75.01 -47.91 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.636 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 0.7 OUTLIER -44.07 -19.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' LEU . . . . . 0.902 HD13 HD23 ' A' ' 465' ' ' LEU . 0.1 OUTLIER -87.59 -57.2 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -48.32 -27.79 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -75.36 -50.89 14.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 0.9 OUTLIER -48.18 -59.41 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' TYR . . . . . 0.534 ' CE2' ' HE3' ' A' ' 457' ' ' LYS . 1.9 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 210' ' ' ASP . . . . . 0.61 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 7.6 p30 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.85 ' CB ' HD21 ' A' ' 419' ' ' LEU . 0.1 OUTLIER -46.92 -77.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 212' ' ' ARG . . . . . 0.666 ' NH1' HD11 ' A' ' 211' ' ' LEU . 0.0 OUTLIER -75.03 -23.23 58.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . 0.61 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -74.07 -78.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 214' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 218' ' ' LEU . 15.9 tp -44.22 -47.48 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 215' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 211' ' ' LEU . . . -43.85 -71.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . 0.522 ' HE2' ' CA ' ' A' ' 216' ' ' LYS . 0.0 OUTLIER -37.51 -33.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 217' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 215' ' ' ALA . 28.9 t60 -85.05 -69.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.937 HD12 ' HA ' ' A' ' 386' ' ' ILE . 0.3 OUTLIER -38.71 -50.65 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 219' ' ' TYR . . . . . 1.02 ' CE2' ' HA ' ' A' ' 382' ' ' SER . 10.9 m-85 -68.3 -40.04 81.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . 0.515 ' O ' ' CD ' ' A' ' 224' ' ' LYS . 3.6 m-20 -56.66 -72.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 221' ' ' SER . . . . . 0.7 ' OG ' ' CD1' ' A' ' 299' ' ' TYR . 78.4 p -53.67 -24.53 14.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.093 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 222' ' ' TYR . . . . . 0.86 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 29.2 t80 -77.49 -52.06 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 223' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 219' ' ' TYR . 1.3 mp -48.66 -13.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . 0.522 ' N ' ' C ' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -97.24 -47.27 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . 0.991 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 9.5 t -43.57 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 226' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.2 120.03 25.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 227' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.1 Cg_endo -75.02 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.647 HD11 ' HG ' ' A' ' 340' ' ' LEU . 0.1 OUTLIER -61.72 73.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . 0.649 HG22 ' OH ' ' A' ' 222' ' ' TYR . 7.1 p -83.08 -164.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -72.12 -28.19 63.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . 0.572 ' HB3' ' OD2' ' A' ' 381' ' ' ASP . . . -77.29 -41.57 40.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 232' ' ' LYS . . . . . 0.501 ' O ' ' CD1' ' A' ' 236' ' ' ILE . 2.1 mttm -72.99 -39.59 65.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 233' ' ' ALA . . . . . 0.552 ' HB1' HD23 ' A' ' 340' ' ' LEU . . . -67.68 -46.89 71.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.758 HH12 HD22 ' A' ' 237' ' ' LEU . 0.0 OUTLIER -75.21 -1.58 23.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . 0.938 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -82.11 -65.22 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.623 ' HB ' ' HB3' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -63.41 -42.99 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 237' ' ' LEU . . . . . 0.83 ' CD1' HD21 ' A' ' 340' ' ' LEU . 0.1 OUTLIER -47.89 -26.61 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 238' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.32 -28.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.425 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . 0.938 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . 0.704 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.978 -0.431 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 247' ' ' PHE . . . . . 0.726 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -7.6 73.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 0.957 HG23 ' CZ ' ' A' ' 347' ' ' PHE . 7.3 p -57.23 106.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 249' ' ' ILE . . . . . 0.59 HG21 HD11 ' A' ' 341' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 276' ' ' GLU . . . . . 0.639 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 277' ' ' VAL . . . . . 0.497 ' N ' ' HG3' ' A' ' 276' ' ' GLU . 4.1 t -42.08 -43.96 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 278' ' ' ALA . . . . . 0.671 ' O ' ' C ' ' A' ' 279' ' ' ILE . . . -70.06 -78.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 0.792 HD11 ' N ' ' A' ' 465' ' ' LEU . 2.7 mm -13.19 -60.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -62.51 -65.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 281' ' ' ILE . . . . . 0.568 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.2 OUTLIER -59.23 -56.54 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 282' ' ' PHE . . . . . 0.822 ' CD1' ' CD2' ' A' ' 360' ' ' PHE . 79.1 t80 -42.1 -46.05 4.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 283' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 0.7 OUTLIER -60.13 -37.64 80.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.259 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 284' ' ' GLY . . . . . 0.454 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -83.13 -55.34 2.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 285' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.5 OUTLIER -53.56 -15.84 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 286' ' ' GLN . . . . . 0.454 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.2 OUTLIER -108.93 -26.09 10.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 287' ' ' PHE . . . . . 0.682 ' O ' HG22 ' A' ' 290' ' ' VAL . 54.5 t80 -47.56 -48.01 28.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -22.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 289' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 287' ' ' PHE . 2.8 t -84.06 -55.31 4.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 290' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.7 m -49.76 -25.86 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' A' ' 294' ' ' GLN . 51.6 mt-10 -76.91 -60.41 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . 0.883 ' O ' HD12 ' A' ' 296' ' ' ILE . . . -34.59 -56.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 79.8 t -39.81 -44.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 294' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.6 -26.86 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.257 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 295' ' ' GLU . . . . . 0.635 ' N ' ' O ' ' A' ' 292' ' ' ALA . 7.5 mt-10 -76.56 -49.4 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . 0.883 HD12 ' O ' ' A' ' 292' ' ' ALA . 3.9 mp -50.04 -68.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.362 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 297' ' ' THR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -36.49 -63.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.406 ' N ' HG22 ' A' ' 297' ' ' THR . 0.2 OUTLIER -44.01 -26.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 299' ' ' TYR . . . . . 0.991 ' HB2' ' HB2' ' A' ' 225' ' ' SER . 1.0 OUTLIER -106.34 -32.91 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 110.966 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.778 ' N ' ' O ' ' A' ' 296' ' ' ILE . . . -59.82 -58.92 6.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 301' ' ' LYS . . . . . 0.688 ' HA ' HG22 ' A' ' 307' ' ' VAL . 82.6 mttt -49.81 -5.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 302' ' ' SER . . . . . 0.674 ' HB3' ' O ' ' A' ' 299' ' ' TYR . 6.6 p -68.69 -52.47 30.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 303' ' ' ILE . . . . . 0.775 HG13 ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -51.44 129.77 33.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 304' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.3 Cg_endo -74.99 15.76 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . 0.551 ' HA3' HD12 ' A' ' 409' ' ' ILE . . . -131.16 -23.1 0.95 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.735 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 79.1 t80 -64.63 -53.86 40.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 307' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -70.24 -18.79 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -77.67 -12.73 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.746 ' HB2' ' HG3' ' A' ' 314' ' ' GLN . 5.4 mt -69.7 -110.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 310' ' ' ASP . . . . . 0.842 ' CG ' HD12 ' A' ' 401' ' ' LEU . 8.5 t70 -150.71 155.58 39.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 315' ' ' VAL . 0.2 OUTLIER -53.92 -48.98 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 312' ' ' ASN . . . . . 0.958 ' HB2' HD11 ' A' ' 401' ' ' LEU . 64.5 m-80 -80.84 -54.72 5.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 313' ' ' ASP . . . . . 1.11 ' OD2' HD11 ' A' ' 406' ' ' ILE . 34.3 t0 -40.2 -47.49 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 314' ' ' GLN . . . . . 0.746 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 19.4 mt-30 -61.88 -51.34 68.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 315' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 311' ' ' LEU . 75.4 t -61.35 -47.6 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.843 HG21 ' C ' ' A' ' 399' ' ' GLY . 24.9 m -43.75 -65.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 317' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -46.22 -51.75 13.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 318' ' ' LEU . . . . . 1.053 HD23 HG22 ' A' ' 322' ' ' VAL . 0.3 OUTLIER -56.8 -53.13 61.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 319' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 318' ' ' LEU . 0.7 OUTLIER -35.24 -41.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 320' ' ' TYR . . . . . 0.502 ' CB ' ' HG3' ' A' ' 397' ' ' ARG . 0.1 OUTLIER -118.95 6.51 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 321' ' ' GLY . . . . . 0.732 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -103.73 -50.71 1.01 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 322' ' ' VAL . . . . . 1.053 HG22 HD23 ' A' ' 318' ' ' LEU . 4.0 t -44.84 -25.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . 0.542 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 23.8 m170 -70.82 -49.4 46.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 324' ' ' GLU . . . . . 0.977 ' HA ' HD12 ' A' ' 442' ' ' LEU . 7.6 mt-10 -72.03 2.81 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 325' ' ' ILE . . . . . 1.025 HD12 HG22 ' A' ' 391' ' ' ILE . 0.7 OUTLIER -106.56 -46.79 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 326' ' ' ILE . . . . . 0.766 HD11 HG12 ' A' ' 322' ' ' VAL . 15.1 mt -77.03 -38.27 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.723 ' HD2' HG22 ' A' ' 446' ' ' VAL . 5.7 m-30 -76.94 -26.09 53.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' THR . . . . . 0.923 ' HA ' HD21 ' A' ' 442' ' ' LEU . 3.9 t -71.38 -57.78 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.585 ' N ' ' CG2' ' A' ' 328' ' ' THR . 17.2 ptt? -74.81 -25.08 58.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.687 ' O ' ' HG2' ' A' ' 334' ' ' MET . 1.3 mt -47.51 -56.72 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 331' ' ' ALA . . . . . 0.941 ' HA ' ' HB2' ' A' ' 371' ' ' ALA . . . -31.58 -57.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . 0.697 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 64.1 m -56.58 -46.59 80.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.837 ' N ' HD23 ' A' ' 333' ' ' LEU . 0.6 OUTLIER -64.8 -13.52 55.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' MET . . . . . 0.687 ' HG2' ' O ' ' A' ' 330' ' ' LEU . 2.5 mmt -76.23 173.23 11.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' ASN . . . . . 0.686 ' HB2' HD21 ' A' ' 237' ' ' LEU . 0.1 OUTLIER -140.96 8.81 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER 81.65 -41.37 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' A' ' 349' ' ' THR . 0.3 OUTLIER -126.63 10.53 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . 0.676 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -171.3 174.04 44.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 341' ' ' ILE . 2.7 p -143.37 154.56 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 0.83 HD21 ' CD1' ' A' ' 237' ' ' LEU . 1.2 mm? -65.68 121.96 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' ILE . . . . . 0.866 HD13 ' C ' ' A' ' 341' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . 0.726 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 0.957 ' CZ ' HG23 ' A' ' 248' ' ' VAL . 0.2 OUTLIER -170.29 123.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 110.973 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.68 ' N ' HD12 ' A' ' 341' ' ' ILE . 2.2 mtp -81.4 115.4 20.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' THR . . . . . 0.676 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 2.2 p -61.1 150.25 34.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.391 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . 0.864 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 8.9 ttm180 -65.31 -53.16 47.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 351' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 355' ' ' SER . 11.3 pt-20 -41.88 -22.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 352' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 350' ' ' ARG . 1.0 OUTLIER -88.77 -67.2 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 353' ' ' LEU . . . . . 0.805 ' O ' HD21 ' A' ' 356' ' ' LEU . 0.4 OUTLIER -50.13 -51.94 39.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 354' ' ' LYS . . . . . 0.596 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.0 OUTLIER -61.84 -37.85 86.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . 0.914 ' O ' HD23 ' A' ' 356' ' ' LEU . 0.6 OUTLIER -53.61 80.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 356' ' ' LEU . . . . . 0.914 HD23 ' O ' ' A' ' 355' ' ' SER . 0.0 OUTLIER 177.38 -161.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 357' ' ' ARG . . . . . 0.639 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.0 OUTLIER -30.68 145.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 358' ' ' LYS . . . . . 0.85 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -44.48 -57.97 5.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 359' ' ' PRO . . . . . 0.85 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.06 -75.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 360' ' ' PHE . . . . . 0.87 ' CE1' HD12 ' A' ' 456' ' ' ILE . 13.6 m-85 -46.78 -16.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 361' ' ' GLY . . . . . 0.641 ' HA2' HD12 ' A' ' 356' ' ' LEU . . . -101.07 38.57 3.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.43 1.082 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 362' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 362' ' ' ASP . 0.5 OUTLIER 178.52 55.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 0.772 . . . . 0.0 109.356 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 363' ' ' PHE . . . . . 0.534 ' CE1' ' HA ' ' A' ' 360' ' ' PHE . 3.9 m-85 -104.34 -11.41 17.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 364' ' ' MET . . . . . 0.781 ' HB2' HD13 ' A' ' 353' ' ' LEU . 0.0 OUTLIER -120.34 -5.82 9.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 365' ' ' GLU . . . . . 0.864 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 4.3 tp10 -67.44 -38.74 16.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.2 Cg_endo -75.0 -26.4 10.95 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 367' ' ' LYS . . . . . 0.649 ' HB2' ' CE ' ' A' ' 334' ' ' MET . 15.2 mttp -75.48 -49.29 19.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 368' ' ' PHE . . . . . 0.755 ' CE2' ' HB2' ' A' ' 350' ' ' ARG . 5.0 m-30 -56.08 -47.77 77.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . 1.02 ' O ' HG12 ' A' ' 372' ' ' VAL . 0.8 OUTLIER -59.58 -46.56 88.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 370' ' ' PHE . . . . . 0.906 ' CE2' ' HB2' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -61.53 -31.71 71.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 371' ' ' ALA . . . . . 0.941 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -66.4 -51.8 53.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 372' ' ' VAL . . . . . 1.02 HG12 ' O ' ' A' ' 369' ' ' GLU . 3.5 p -50.99 -20.18 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 373' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -99.99 -25.03 14.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 374' ' ' PHE . . . . . 0.662 ' CZ ' HD23 ' A' ' 442' ' ' LEU . 0.1 OUTLIER -84.81 -40.45 17.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 371' ' ' ALA . 4.8 m120 -57.02 -14.09 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -89.02 32.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.616 HD11 ' HG2' ' A' ' 438' ' ' LYS . 1.2 pp -169.56 5.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 378' ' ' GLU . . . . . 0.886 ' C ' HD22 ' A' ' 379' ' ' LEU . 3.1 mm-40 -69.07 162.34 27.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.886 HD22 ' C ' ' A' ' 378' ' ' GLU . 3.6 mm? -134.35 -101.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 380' ' ' ASP . . . . . 0.911 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 3.2 p30 -139.52 153.3 47.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . 0.572 ' OD2' ' HB3' ' A' ' 231' ' ' ALA . 62.3 m-20 -53.43 -11.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . 1.02 ' HA ' ' CE2' ' A' ' 219' ' ' TYR . 0.3 OUTLIER -72.67 -68.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.04 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . 0.476 ' OD1' ' ND2' ' A' ' 424' ' ' ASN . 0.7 OUTLIER -57.63 -24.04 54.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.919 ' O ' ' HD1' ' A' ' 387' ' ' PHE . 10.2 mt -80.18 -67.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . 0.605 ' C ' ' O ' ' A' ' 384' ' ' LEU . . . -23.01 -38.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.937 ' HA ' HD12 ' A' ' 218' ' ' LEU . 5.7 mt -81.69 -54.93 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 387' ' ' PHE . . . . . 0.919 ' HD1' ' O ' ' A' ' 384' ' ' LEU . 0.1 OUTLIER -37.8 -26.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 388' ' ' ILE . . . . . 0.805 ' N ' ' CD1' ' A' ' 387' ' ' PHE . 0.0 OUTLIER -59.57 -55.01 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . 1.035 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -60.43 -37.7 81.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.714 ' O ' ' NE2' ' A' ' 410' ' ' GLN . 7.0 t -61.24 -13.84 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 1.025 HG22 HD12 ' A' ' 325' ' ' ILE . 19.8 mm -107.44 -18.94 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 392' ' ' ILE . . . . . 0.972 HG22 HD23 ' A' ' 393' ' ' LEU . 91.4 mt -69.79 -76.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.972 HD23 HG22 ' A' ' 392' ' ' ILE . 0.0 OUTLIER -64.29 91.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 394' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 396' ' ' ASP . 51.9 m -110.48 81.21 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 395' ' ' GLY . . . . . 0.723 ' HA2' HG22 ' A' ' 403' ' ' VAL . . . -59.33 72.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 396' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 394' ' ' SER . 5.6 p-10 -177.77 -22.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 397' ' ' ARG . . . . . 0.51 ' NH2' ' OG ' ' A' ' 394' ' ' SER . 0.0 OUTLIER -49.6 147.59 5.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.29 8.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . 0.843 ' C ' HG21 ' A' ' 316' ' ' THR . . . 93.02 36.28 6.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.757 HD13 HG22 ' A' ' 403' ' ' VAL . 15.7 mt -92.45 150.98 20.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.958 HD11 ' HB2' ' A' ' 312' ' ' ASN . 15.5 mt -100.78 -73.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . 1.279 ' O ' ' CD1' ' A' ' 406' ' ' ILE . 4.3 m120 -105.71 79.54 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 403' ' ' VAL . . . . . 0.969 ' HA ' HD13 ' A' ' 406' ' ' ILE . 0.9 OUTLIER -67.72 -3.95 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.664 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 6.2 mtmt -77.53 -45.01 2.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . 1.266 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -20.18 17.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . 1.279 ' CD1' ' O ' ' A' ' 402' ' ' ASN . 4.0 mp -72.2 -56.82 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.74 -10.33 59.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . 0.664 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 59.7 m-20 -87.64 -45.88 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' ILE . . . . . 0.894 HG22 HD11 ' A' ' 393' ' ' LEU . 33.6 mm -72.67 -27.7 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . 0.813 ' HG2' HD12 ' A' ' 413' ' ' LEU . 0.0 OUTLIER -77.56 -38.34 48.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.37 -25.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.83 -50.35 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 1.035 HD13 ' HB1' ' A' ' 389' ' ' ALA . 2.3 mt -52.91 -41.67 64.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.843 HD21 HD22 ' A' ' 436' ' ' LEU . 0.1 OUTLIER -62.02 -49.54 75.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.525 ' O ' ' HB3' ' A' ' 419' ' ' LEU . 45.3 mt-30 -48.72 -51.87 26.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.673 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -55.1 -50.22 69.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . 1.007 ' C ' HD22 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -43.56 -78.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' GLU . . . . . 0.923 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -53.68 -24.33 14.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.85 HD21 ' CB ' ' A' ' 211' ' ' LEU . 0.0 OUTLIER -67.49 -81.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' GLN . . . . . 0.659 ' O ' ' CG ' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -56.46 -11.95 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.595 HD11 ' CD1' ' A' ' 435' ' ' LEU . 0.5 OUTLIER -88.52 -57.26 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 0.0 OUTLIER -80.83 15.33 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.834 HD12 ' HG ' ' A' ' 419' ' ' LEU . 28.4 mt -125.89 -32.94 2.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.659 ' CG ' ' O ' ' A' ' 420' ' ' GLN . 31.6 p-10 -92.85 -11.78 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.505 ' CG ' ' OD1' ' A' ' 424' ' ' ASN . 3.5 p80 177.34 67.4 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.639 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.557 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.1 Cg_endo -75.05 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 0.0 110.979 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.01 -76.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' SER . . . . . 0.45 ' HB2' HD23 ' A' ' 431' ' ' LEU . 0.1 OUTLIER -80.94 -170.65 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.997 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' SER . . . . . 0.406 ' HB2' ' NE2' ' A' ' 430' ' ' GLN . 37.5 m -92.62 -36.11 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' GLN . . . . . 0.656 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -126.91 24.37 6.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 431' ' ' LEU . 1.7 tm? -38.53 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' PHE . . . . . 0.739 ' CD1' HD23 ' A' ' 436' ' ' LEU . 0.1 OUTLIER -85.29 -47.85 9.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 430' ' ' GLN . . . -41.57 -27.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . 0.552 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.0 OUTLIER -97.25 -49.18 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' LEU . . . . . 0.595 ' CD1' HD11 ' A' ' 421' ' ' LEU . 0.5 OUTLIER -39.02 -39.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.843 HD22 HD21 ' A' ' 414' ' ' LEU . 1.9 pp -75.18 -47.34 28.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' GLN . . . . . 0.599 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 1.3 mm100 -46.14 -14.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.616 ' HG2' HD11 ' A' ' 377' ' ' LEU . 0.0 OUTLIER -47.1 -29.78 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' MET . . . . . 0.66 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.36 -43.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.2 OUTLIER -34.3 -76.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.589 ' O ' HG13 ' A' ' 445' ' ' ILE . 28.6 m-20 -52.08 -25.91 9.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' LEU . . . . . 0.977 HD12 ' HA ' ' A' ' 324' ' ' GLU . 0.5 OUTLIER -76.42 -75.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' ARG . . . . . 0.66 ' N ' ' O ' ' A' ' 439' ' ' MET . 18.3 ttt180 -52.63 -19.67 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.635 ' O ' HG22 ' A' ' 447' ' ' THR . 31.6 mm-40 -72.16 -68.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.691 HD11 ' HB2' ' A' ' 370' ' ' PHE . 0.9 OUTLIER -45.63 -28.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 442' ' ' LEU . 41.3 t -65.72 -73.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 444' ' ' GLN . 5.0 t -42.14 -26.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 446' ' ' VAL . 10.1 mm-40 -86.85 -55.55 3.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' HIS . . . . . 0.469 ' CD2' ' HE3' ' A' ' 367' ' ' LYS . 60.1 t-80 -51.37 -19.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.528 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' VAL . . . . . 1.055 ' HA ' HD12 ' A' ' 453' ' ' LEU . 4.0 t -92.79 -48.07 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' GLN . . . . . 0.417 ' O ' ' CG2' ' A' ' 455' ' ' VAL . 15.7 mt-30 -52.24 -19.99 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.558 HD12 ' CB ' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -94.39 -56.79 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 1.055 HD12 ' HA ' ' A' ' 450' ' ' VAL . 0.0 OUTLIER -69.78 -12.83 61.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' GLN . . . . . 0.945 ' N ' HD13 ' A' ' 453' ' ' LEU . 2.5 tt0 -92.99 -42.23 9.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.463 ' O ' ' HB ' ' A' ' 459' ' ' THR . 4.1 t -68.17 -17.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . 0.87 HD12 ' CE1' ' A' ' 360' ' ' PHE . 10.5 pt -98.91 -48.81 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' LYS . . . . . 0.778 ' HG3' HD22 ' A' ' 453' ' ' LEU . 0.3 OUTLIER -54.67 -19.09 5.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -110.86 -22.99 11.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 459' ' ' THR . 1.3 m -146.98 53.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.382 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.715 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.3 OUTLIER -57.4 170.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -63.2 -26.22 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.7 OUTLIER 170.57 53.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 4.3 ttm 59.79 156.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 13.4 t -178.16 153.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 1.115 HD23 HD13 ' A' ' 469' ' ' LEU . 0.2 OUTLIER 72.35 -124.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . 1.011 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 11.0 p80 -159.7 -174.79 0.45 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.563 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . 1.011 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 2.9 mt -43.51 -19.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' LEU . . . . . 1.115 HD13 HD23 ' A' ' 465' ' ' LEU . 0.0 OUTLIER -91.55 -51.32 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.462 ' HB2' ' HZ3' ' A' ' 457' ' ' LYS . 0.9 OUTLIER -58.35 -29.69 66.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -74.0 -68.45 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . 0.766 HD12 ' N ' ' A' ' 473' ' ' TYR . 2.3 pp -42.11 -60.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' TYR . . . . . 0.766 ' N ' HD12 ' A' ' 472' ' ' ILE . 1.4 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 210' ' ' ASP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.978 HD12 HD22 ' A' ' 419' ' ' LEU . 0.1 OUTLIER -60.69 -53.46 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 212' ' ' ARG . . . . . 0.469 ' NH1' ' HA ' ' A' ' 420' ' ' GLN . 2.3 tpm_? -77.91 -28.58 49.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -71.17 -55.59 7.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 214' ' ' LEU . . . . . 0.643 ' HG ' HD13 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -50.79 -44.45 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -48.22 -59.75 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -47.12 -33.05 4.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 217' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 68.1 t60 -73.25 -73.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.595 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 1.014 HD21 HD22 ' A' ' 413' ' ' LEU . 7.7 mp -37.89 -58.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 219' ' ' TYR . . . . . 1.008 ' CE1' HD13 ' A' ' 223' ' ' ILE . 92.8 t80 -58.14 -40.49 81.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 216' ' ' LYS . 2.4 m-20 -58.41 -63.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 221' ' ' SER . . . . . 1.263 ' O ' ' CD2' ' A' ' 299' ' ' TYR . 0.0 OUTLIER -71.21 6.75 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.032 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 222' ' ' TYR . . . . . 0.894 ' HB2' ' O ' ' A' ' 218' ' ' LEU . 0.1 OUTLIER -113.72 -54.06 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 223' ' ' ILE . . . . . 1.008 HD13 ' CE1' ' A' ' 219' ' ' TYR . 1.4 tp -48.47 -19.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . 0.893 ' HB2' ' CE2' ' A' ' 299' ' ' TYR . 0.7 OUTLIER -94.92 -44.51 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . 0.714 ' HB2' ' HD2' ' A' ' 299' ' ' TYR . 33.3 t -38.41 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 226' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.88 122.09 86.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.4 2.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.529 HD12 HD12 ' A' ' 333' ' ' LEU . 0.2 OUTLIER -95.14 117.56 30.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . 0.633 ' CA ' HD11 ' A' ' 333' ' ' LEU . 55.6 p -131.76 -165.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 332' ' ' SER . 0.0 OUTLIER -77.93 -37.28 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . 1.127 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -70.62 -20.51 62.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 232' ' ' LYS . . . . . 0.408 ' HG3' ' OG1' ' A' ' 229' ' ' THR . 0.6 OUTLIER -102.06 -39.6 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 233' ' ' ALA . . . . . 0.94 ' HB2' HD12 ' A' ' 333' ' ' LEU . . . -66.85 -53.97 27.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.902 ' NH1' HD22 ' A' ' 237' ' ' LEU . 0.2 OUTLIER -75.59 -15.08 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . 1.127 ' HB2' ' O ' ' A' ' 231' ' ' ALA . . . -60.84 -59.61 5.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.877 HD12 ' HB3' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -73.04 -39.16 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 237' ' ' LEU . . . . . 0.924 HD13 HD21 ' A' ' 340' ' ' LEU . 0.7 OUTLIER -52.45 -17.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 238' ' ' THR . . . . . 0.735 HG22 ' C ' ' A' ' 237' ' ' LEU . 0.1 OUTLIER 162.61 -10.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . 0.809 ' C ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . 0.877 ' HB3' HD12 ' A' ' 236' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 247' ' ' PHE . . . . . 0.655 ' N ' ' HA2' ' A' ' 346' ' ' GLY . 0.1 OUTLIER -46.85 67.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 1.091 HG23 ' CZ ' ' A' ' 347' ' ' PHE . 15.0 p -43.31 147.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 249' ' ' ILE . . . . . 0.626 HG22 ' O ' ' A' ' 249' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 276' ' ' GLU . . . . . 0.718 ' HG2' ' HB3' ' A' ' 278' ' ' ALA . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 277' ' ' VAL . . . . . 0.599 ' O ' HD22 ' A' ' 356' ' ' LEU . 3.3 t -64.99 -11.94 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 278' ' ' ALA . . . . . 0.825 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -90.2 -63.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 0.68 HD11 ' HA ' ' A' ' 465' ' ' LEU . 0.5 OUTLIER -36.78 -36.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . 0.706 ' NE ' HD12 ' A' ' 281' ' ' ILE . 2.9 ptt180 -77.76 -51.5 10.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 281' ' ' ILE . . . . . 0.748 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.1 OUTLIER -78.14 -49.85 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 282' ' ' PHE . . . . . 0.825 ' N ' ' O ' ' A' ' 278' ' ' ALA . 2.7 t80 -48.79 -44.61 39.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 283' ' ' GLN . . . . . 0.542 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 29.6 mt-30 -69.33 -37.64 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 284' ' ' GLY . . . . . 0.461 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -82.81 -57.13 2.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 285' ' ' CYS . . . . . 0.748 ' N ' ' O ' ' A' ' 281' ' ' ILE . 11.2 m -52.96 -17.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 286' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 58.2 tp60 -106.3 -25.12 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 287' ' ' PHE . . . . . 0.572 ' CD2' ' OE1' ' A' ' 291' ' ' GLU . 12.8 t80 -52.93 -31.46 40.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -61.29 -22.2 64.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 289' ' ' SER . . . . . 1.002 ' HA ' HG21 ' A' ' 326' ' ' ILE . 26.3 t -88.04 -57.18 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.037 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 290' ' ' VAL . . . . . 0.483 ' O ' ' HG3' ' A' ' 294' ' ' GLN . 2.8 m -51.75 -26.83 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . 0.572 ' OE1' ' CD2' ' A' ' 287' ' ' PHE . 28.9 mt-10 -77.06 -63.25 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . 0.905 ' HB3' HG12 ' A' ' 326' ' ' ILE . . . -34.2 -58.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . 0.93 HG13 HG11 ' A' ' 322' ' ' VAL . 18.3 t -41.52 -46.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 294' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.07 -28.76 60.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 295' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.5 mm-40 -71.23 -53.59 13.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . 0.96 ' O ' ' N ' ' A' ' 300' ' ' ALA . 1.7 mp -55.41 -78.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 297' ' ' THR . . . . . 0.759 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 1.0 OUTLIER -31.58 -70.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.457 ' N ' HG22 ' A' ' 297' ' ' THR . 1.2 mm-40 -34.94 -31.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 299' ' ' TYR . . . . . 1.263 ' CD2' ' O ' ' A' ' 221' ' ' SER . 0.5 OUTLIER -116.37 -24.96 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 1.116 ' O ' ' N ' ' A' ' 302' ' ' SER . . . -51.44 -53.59 35.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 301' ' ' LYS . . . . . 0.516 ' HA ' HG22 ' A' ' 307' ' ' VAL . 14.9 mttm -33.59 -2.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 302' ' ' SER . . . . . 1.116 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -61.68 -55.69 27.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.027 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 303' ' ' ILE . . . . . 0.892 HG23 HD11 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -46.3 126.25 7.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 304' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.3 Cg_endo -74.99 14.58 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . 0.556 ' O ' ' CD2' ' A' ' 309' ' ' LEU . . . -129.0 -23.02 1.19 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.843 ' HE1' HD11 ' A' ' 317' ' ' LEU . 0.6 OUTLIER -65.04 -56.3 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.79 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 307' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -69.17 -19.8 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.0 -15.56 61.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.8 mt -69.52 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 310' ' ' ASP . . . . . 0.719 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -141.66 149.43 40.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . 0.515 HD12 ' ND2' ' A' ' 312' ' ' ASN . 0.2 OUTLIER -54.16 -46.8 72.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 312' ' ' ASN . . . . . 0.678 ' HB2' HD11 ' A' ' 401' ' ' LEU . 1.9 m-80 -80.53 -57.31 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 313' ' ' ASP . . . . . 0.799 ' H ' HD12 ' A' ' 401' ' ' LEU . 23.2 t0 -39.66 -48.94 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 314' ' ' GLN . . . . . 0.579 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 25.7 mt-30 -56.81 -54.77 42.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.54 -32.53 58.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.794 HG21 ' HA ' ' A' ' 400' ' ' LEU . 0.9 OUTLIER -57.98 -65.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.392 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 317' ' ' LEU . . . . . 0.883 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -45.13 -44.12 10.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 318' ' ' LEU . . . . . 0.981 HD23 HG12 ' A' ' 322' ' ' VAL . 0.2 OUTLIER -57.81 -58.02 10.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 319' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 318' ' ' LEU . 0.0 OUTLIER -39.09 -40.9 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 320' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -112.51 4.04 17.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 321' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -108.82 -50.97 0.71 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 322' ' ' VAL . . . . . 0.981 HG12 HD23 ' A' ' 318' ' ' LEU . 3.9 m -37.35 -31.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . 1.087 ' CD2' HG21 ' A' ' 446' ' ' VAL . 0.0 OUTLIER -61.27 -60.77 3.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.63 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 324' ' ' GLU . . . . . 0.907 ' HA ' HD12 ' A' ' 442' ' ' LEU . 4.2 mp0 -66.73 1.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 325' ' ' ILE . . . . . 0.954 HD12 HG22 ' A' ' 391' ' ' ILE . 1.0 OUTLIER -100.62 -58.79 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 326' ' ' ILE . . . . . 1.002 HG21 ' HA ' ' A' ' 289' ' ' SER . 1.5 mt -60.54 -43.06 93.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.925 ' CD2' HG22 ' A' ' 446' ' ' VAL . 29.3 m-85 -76.54 -19.92 57.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' THR . . . . . 0.704 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 0.6 OUTLIER -58.02 -58.71 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.599 ' N ' ' CG2' ' A' ' 328' ' ' THR . 5.0 ptt? -93.55 -20.66 20.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.736 ' HB2' ' HA ' ' A' ' 327' ' ' TYR . 1.8 mt -38.64 -54.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 331' ' ' ALA . . . . . 0.805 ' HA ' ' HB2' ' A' ' 371' ' ' ALA . . . -38.67 -45.75 1.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . 0.67 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -57.35 -47.04 82.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.996 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.94 HD12 ' HB2' ' A' ' 233' ' ' ALA . 0.2 OUTLIER -71.98 24.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' MET . . . . . 0.701 ' CG ' ' HA ' ' A' ' 368' ' ' PHE . 4.9 mmt -109.6 172.93 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' ASN . . . . . 0.793 ' O ' ' CD1' ' A' ' 368' ' ' PHE . 2.1 t-20 -139.52 172.58 12.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' LYS . . . . . 0.783 ' H ' ' ND2' ' A' ' 335' ' ' ASN . 0.1 OUTLIER -62.89 -50.56 70.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' ASP . . . . . 0.533 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 5.9 m-20 -125.65 36.05 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . 0.725 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -173.7 -172.97 39.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . 0.815 HG13 HD11 ' A' ' 353' ' ' LEU . 1.0 OUTLIER -146.99 128.43 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 0.924 HD21 HD13 ' A' ' 237' ' ' LEU . 3.6 mm? -53.24 128.86 29.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' ILE . . . . . 0.914 HG23 ' HA ' ' A' ' 347' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . 0.655 ' HA2' ' N ' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 1.091 ' CZ ' HG23 ' A' ' 248' ' ' VAL . 0.5 OUTLIER -177.45 142.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 110.989 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.512 ' HB2' HG21 ' A' ' 341' ' ' ILE . 21.6 ttm -94.69 116.51 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' THR . . . . . 0.725 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.0 p -63.7 155.55 29.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . 0.723 ' HA ' HD12 ' A' ' 353' ' ' LEU . 30.3 ttm180 -57.07 -53.66 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 351' ' ' GLU . . . . . 0.58 ' O ' ' HB2' ' A' ' 355' ' ' SER . 2.9 pt-20 -42.63 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 352' ' ' PHE . . . . . 0.459 ' N ' ' C ' ' A' ' 350' ' ' ARG . 0.1 OUTLIER -86.92 -54.67 4.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 353' ' ' LEU . . . . . 0.815 HD11 HG13 ' A' ' 339' ' ' VAL . 0.7 OUTLIER -53.74 -53.08 57.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 354' ' ' LYS . . . . . 0.681 ' O ' ' N ' ' A' ' 356' ' ' LEU . 5.2 mtpm? -64.79 -36.27 83.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . 0.975 ' O ' HD23 ' A' ' 356' ' ' LEU . 0.4 OUTLIER -59.31 63.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 356' ' ' LEU . . . . . 0.975 HD23 ' O ' ' A' ' 355' ' ' SER . 4.6 mt -149.63 -155.6 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 357' ' ' ARG . . . . . 0.678 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 2.1 mtm180 -68.77 160.52 30.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 358' ' ' LYS . . . . . 0.845 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.38 -66.65 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 359' ' ' PRO . . . . . 0.845 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.2 Cg_endo -75.02 -62.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 360' ' ' PHE . . . . . 0.549 ' CE1' HG21 ' A' ' 456' ' ' ILE . 2.3 m-30 -48.43 -11.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 361' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 357' ' ' ARG . . . -86.85 34.03 3.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 362' ' ' ASP . . . . . 0.532 ' O ' ' OD1' ' A' ' 362' ' ' ASP . 50.4 p30 -177.98 59.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 363' ' ' PHE . . . . . 0.498 ' O ' ' NZ ' ' A' ' 367' ' ' LYS . 0.6 OUTLIER -105.39 -22.44 13.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 364' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 285' ' ' CYS . 0.3 OUTLIER -128.29 -4.94 5.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 365' ' ' GLU . . . . . 0.756 ' OE1' ' CE2' ' A' ' 368' ' ' PHE . 1.6 tp10 -74.83 -36.24 2.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.2 Cg_endo -75.01 -32.95 4.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.548 1.815 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 367' ' ' LYS . . . . . 0.63 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 0.2 OUTLIER -69.97 -60.8 2.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 368' ' ' PHE . . . . . 0.793 ' CD1' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -59.92 -47.99 83.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . 0.861 ' O ' HG12 ' A' ' 372' ' ' VAL . 6.1 tt0 -50.64 -45.31 57.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 370' ' ' PHE . . . . . 1.095 ' CG ' HD11 ' A' ' 445' ' ' ILE . 3.7 m-85 -70.28 -33.93 72.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 371' ' ' ALA . . . . . 0.805 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -57.17 -47.47 81.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 372' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 369' ' ' GLU . 1.4 p -58.53 -15.63 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 373' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -102.19 -25.45 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 374' ' ' PHE . . . . . 0.668 ' CE1' ' OD1' ' A' ' 441' ' ' ASP . 0.1 OUTLIER -90.04 -35.79 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . 0.414 ' ND2' HH21 ' A' ' 234' ' ' ARG . 1.2 m-80 -57.98 -11.02 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -83.96 26.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.841 HD11 ' CE ' ' A' ' 438' ' ' LYS . 1.2 pp -167.04 4.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 378' ' ' GLU . . . . . 1.026 ' O ' HD23 ' A' ' 379' ' ' LEU . 1.3 mt-10 -73.35 -172.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 1.026 HD23 ' O ' ' A' ' 378' ' ' GLU . 6.6 mt -136.53 -134.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 380' ' ' ASP . . . . . 0.7 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 0.4 OUTLIER -110.98 148.45 32.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . 0.84 ' OD2' ' HB2' ' A' ' 231' ' ' ALA . 1.5 m-20 -38.17 -29.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . 0.636 ' HA ' ' CD1' ' A' ' 219' ' ' TYR . 0.3 OUTLIER -58.46 -62.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.039 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . 0.557 ' OD2' ' HB3' ' A' ' 379' ' ' LEU . 5.9 m-20 -63.45 -20.17 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 11.3 mt -81.91 -61.7 1.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . 0.618 ' HB1' ' HB3' ' A' ' 222' ' ' TYR . . . -36.48 -42.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 413' ' ' LEU . 20.0 mt -70.1 -54.32 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 387' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 390' ' ' VAL . 1.3 t80 -35.26 -53.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 388' ' ' ILE . . . . . 0.797 ' CG1' HG23 ' A' ' 325' ' ' ILE . 0.3 OUTLIER -43.21 -50.54 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . 0.964 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -62.33 -34.02 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.653 HG13 ' NE2' ' A' ' 410' ' ' GLN . 39.2 t -69.22 -7.05 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.954 HG22 HD12 ' A' ' 325' ' ' ILE . 17.1 mm -110.22 -17.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 392' ' ' ILE . . . . . 0.718 HD13 ' CE2' ' A' ' 306' ' ' PHE . 0.1 OUTLIER -84.15 -56.86 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.8 ' O ' HG22 ' A' ' 406' ' ' ILE . 3.6 mm? -66.34 19.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 394' ' ' SER . . . . . 0.713 ' H ' ' C ' ' A' ' 392' ' ' ILE . 0.8 OUTLIER -76.71 117.01 17.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.045 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 395' ' ' GLY . . . . . 0.69 ' HA2' HD13 ' A' ' 400' ' ' LEU . . . -97.67 46.57 1.62 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 396' ' ' ASP . . . . . 0.54 ' OD1' ' CZ ' ' A' ' 397' ' ' ARG . 1.1 p-10 -101.12 -23.66 14.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 397' ' ' ARG . . . . . 0.919 ' HB2' ' HG ' ' A' ' 400' ' ' LEU . 14.0 mmt180 -61.03 123.36 75.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 10.2 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . 0.717 ' O ' HG21 ' A' ' 316' ' ' THR . . . -125.69 30.62 4.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.919 ' HG ' ' HB2' ' A' ' 397' ' ' ARG . 16.7 mt -91.3 -176.55 4.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.767 . . . . 0.0 109.264 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.799 HD12 ' H ' ' A' ' 313' ' ' ASP . 14.5 mt -126.04 -62.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . 0.953 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 1.8 m120 -108.71 79.61 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 403' ' ' VAL . . . . . 0.959 ' HA ' HD12 ' A' ' 406' ' ' ILE . 1.0 OUTLIER -71.45 -13.02 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.763 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -70.74 -51.49 11.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . 0.953 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -21.91 15.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . 0.959 HD12 ' HA ' ' A' ' 403' ' ' VAL . 41.5 mt -68.66 -79.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -18.8 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . 0.763 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 29.1 m-20 -74.28 -59.65 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' ILE . . . . . 0.73 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 25.0 mm -56.96 -21.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . 0.779 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -73.8 -45.29 52.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . 0.462 ' HA ' ' CD2' ' A' ' 414' ' ' LEU . 15.8 t70 -42.34 -24.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . 0.483 ' N ' ' C ' ' A' ' 410' ' ' GLN . 1.8 t-20 -88.92 -68.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 1.014 HD22 HD21 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -36.89 -47.61 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 415' ' ' GLN . 0.9 OUTLIER -60.72 -54.67 42.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.924 ' HB3' HD21 ' A' ' 211' ' ' LEU . 21.5 mt-30 -43.88 -57.21 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.688 ' O ' ' N ' ' A' ' 420' ' ' GLN . . . -48.87 -57.57 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . 1.008 ' C ' HD22 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -38.66 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' GLU . . . . . 0.908 ' H ' HD13 ' A' ' 417' ' ' LEU . 31.4 tt0 -50.64 -32.44 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.249 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.978 HD22 HD12 ' A' ' 211' ' ' LEU . 0.7 OUTLIER -70.04 -73.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' GLN . . . . . 0.688 ' N ' ' O ' ' A' ' 416' ' ' ALA . 0.0 OUTLIER -43.21 -35.87 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.844 ' C ' HD12 ' A' ' 421' ' ' LEU . 0.1 OUTLIER -73.28 -41.17 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . 0.538 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 4.4 mttt -77.91 6.67 7.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.787 HD11 ' HG ' ' A' ' 419' ' ' LEU . 10.0 mt -123.32 -42.52 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.645 ' ND2' ' CD2' ' A' ' 425' ' ' HIS . 0.0 OUTLIER -81.17 -16.07 53.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.645 ' CD2' ' ND2' ' A' ' 424' ' ' ASN . 0.3 OUTLIER 177.08 73.15 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.589 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.538 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.3 Cg_endo -74.95 151.76 40.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 170.32 175.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 36.6 t 63.64 -100.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 3.2 p 171.21 -66.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' GLN . . . . . 0.61 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -102.83 25.99 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 430' ' ' GLN . 0.7 OUTLIER -38.25 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' PHE . . . . . 0.874 ' CE1' HD23 ' A' ' 436' ' ' LEU . 0.5 OUTLIER -84.91 -49.04 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' ALA . . . . . 0.648 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -44.5 -24.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . 0.444 ' N ' ' C ' ' A' ' 432' ' ' PHE . 0.3 OUTLIER -98.02 -48.26 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.3 OUTLIER -39.52 -38.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.874 HD23 ' CE1' ' A' ' 432' ' ' PHE . 3.3 pp -74.62 -49.44 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' GLN . . . . . 0.648 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 1.3 mt-30 -49.73 -11.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.841 ' CE ' HD11 ' A' ' 377' ' ' LEU . 3.1 mmpm? -48.63 -29.83 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' MET . . . . . 0.69 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.05 -46.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.761 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.1 OUTLIER -31.08 -95.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.668 ' OD1' ' CE1' ' A' ' 374' ' ' PHE . 0.5 OUTLIER -44.92 -22.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' LEU . . . . . 0.907 HD12 ' HA ' ' A' ' 324' ' ' GLU . 1.0 OUTLIER -73.45 -79.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' ARG . . . . . 0.69 ' N ' ' O ' ' A' ' 439' ' ' MET . 1.2 ttt180 -58.72 -19.79 43.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.234 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.994 ' O ' HG22 ' A' ' 447' ' ' THR . 13.6 mm-40 -75.84 -79.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 1.095 HD11 ' CG ' ' A' ' 370' ' ' PHE . 10.1 mt -44.92 -45.45 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 1.087 HG21 ' CD2' ' A' ' 323' ' ' HIS . 68.6 t -51.93 -66.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' THR . . . . . 0.994 HG22 ' O ' ' A' ' 444' ' ' GLN . 15.3 t -46.26 -24.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.43 -52.41 9.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' HIS . . . . . 0.634 ' CG ' ' HH ' ' A' ' 327' ' ' TYR . 0.1 OUTLIER -42.81 -31.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.598 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' A' ' 454' ' ' GLN . 21.9 t -82.01 -49.4 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' GLN . . . . . 0.735 ' O ' HG23 ' A' ' 455' ' ' VAL . 4.6 mt-30 -44.94 -25.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.401 ' N ' ' C ' ' A' ' 450' ' ' VAL . 1.6 mt -86.71 -68.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 457' ' ' LYS . 0.1 OUTLIER -58.56 -17.18 19.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' GLN . . . . . 0.675 ' O ' ' CG ' ' A' ' 458' ' ' LYS . 0.7 OUTLIER -80.56 -50.52 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 451' ' ' GLN . 95.4 t -70.62 -6.02 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . 0.885 ' O ' ' N ' ' A' ' 460' ' ' GLU . 1.4 tp -105.91 -59.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' LYS . . . . . 0.65 ' HB3' HD12 ' A' ' 453' ' ' LEU . 0.0 OUTLIER -49.76 -20.04 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' LYS . . . . . 0.675 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -102.6 -39.4 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 459' ' ' THR . 2.1 m -126.39 39.52 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.885 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.2 OUTLIER -44.12 170.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.5 OUTLIER -72.28 -22.45 61.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 461' ' ' THR . 4.2 t0 170.72 54.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 5.5 ttt 62.07 152.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 465' ' ' LEU . 3.6 m -164.62 175.84 9.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.816 HD23 HD13 ' A' ' 469' ' ' LEU . 0.1 OUTLIER 39.29 -127.06 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . 0.908 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 13.2 p80 -158.59 -177.3 0.72 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . 0.908 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.99 -44.88 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 0.5 OUTLIER -43.86 -20.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' LEU . . . . . 0.816 HD13 HD23 ' A' ' 465' ' ' LEU . 0.0 OUTLIER -89.26 -56.86 3.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.484 ' CG ' ' HD2' ' A' ' 457' ' ' LYS . 1.4 tt0 -46.76 -28.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -76.05 -53.25 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.0 OUTLIER -45.43 -57.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' TYR . . . . . 0.528 ' CZ ' ' CD2' ' A' ' 453' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 210' ' ' ASP . . . . . 0.566 ' O ' ' HB3' ' A' ' 214' ' ' LEU . 2.1 p30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 1.187 HD22 ' CD1' ' A' ' 419' ' ' LEU . 0.1 OUTLIER -56.97 -60.57 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 212' ' ' ARG . . . . . 0.44 ' NH2' ' HB2' ' A' ' 420' ' ' GLN . 0.3 OUTLIER -94.55 -21.82 18.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -72.42 -57.96 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 214' ' ' LEU . . . . . 1.086 HD23 ' HB2' ' A' ' 416' ' ' ALA . 11.8 tp -56.78 -55.55 32.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 215' ' ' ALA . . . . . 0.539 ' HA ' HD11 ' A' ' 386' ' ' ILE . . . -42.36 -67.61 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -51.96 -28.31 16.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 217' ' ' HIS . . . . . 0.586 ' O ' ' N ' ' A' ' 220' ' ' ASP . 33.0 t60 -73.27 -73.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.644 ' O ' ' HB2' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -36.89 -50.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 219' ' ' TYR . . . . . 0.717 ' HD1' ' HB3' ' A' ' 385' ' ' ALA . 19.1 t80 -70.54 -32.61 70.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 217' ' ' HIS . 0.7 OUTLIER -61.37 -75.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 221' ' ' SER . . . . . 0.749 ' CB ' ' HB2' ' A' ' 302' ' ' SER . 67.2 m -50.53 -29.07 9.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 222' ' ' TYR . . . . . 0.717 ' CE2' ' HA ' ' A' ' 385' ' ' ALA . 0.6 OUTLIER -71.82 -49.83 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 223' ' ' ILE . . . . . 0.564 HD11 ' CE2' ' A' ' 219' ' ' TYR . 1.1 mp -52.06 -10.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . 0.536 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.1 OUTLIER -94.61 -44.09 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . 0.63 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 29.5 t -59.36 -77.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 226' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 226' ' ' PHE . 0.0 OUTLIER -113.77 110.09 49.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 227' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.4 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.702 HD11 ' HG ' ' A' ' 340' ' ' LEU . 0.5 OUTLIER -59.46 80.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 227' ' ' PRO . 15.5 p -83.52 -165.68 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . 0.694 ' HD3' HD11 ' A' ' 384' ' ' LEU . 0.2 OUTLIER -75.36 -27.81 59.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . 0.764 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -76.14 -39.78 54.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 232' ' ' LYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 236' ' ' ILE . 1.4 mttp -73.04 -40.56 65.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 233' ' ' ALA . . . . . 0.869 ' HB1' HD23 ' A' ' 340' ' ' LEU . . . -68.05 -47.75 67.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.654 ' NE ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -77.07 1.29 18.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . 0.877 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -87.48 -69.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.583 ' CD1' ' O ' ' A' ' 232' ' ' LYS . 0.0 OUTLIER -61.45 -37.55 78.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 237' ' ' LEU . . . . . 0.719 ' HG ' HD21 ' A' ' 340' ' ' LEU . 26.6 mt -51.73 -34.1 37.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 238' ' ' THR . . . . . 0.619 ' O ' ' C ' ' A' ' 239' ' ' GLY . 1.9 t -161.98 -35.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . 0.877 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . 0.763 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 247' ' ' PHE . . . . . 0.615 ' C ' ' O ' ' A' ' 246' ' ' PRO . 14.4 t80 -14.22 75.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 0.763 ' N ' ' O ' ' A' ' 246' ' ' PRO . 1.5 m -58.84 101.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 249' ' ' ILE . . . . . 0.708 ' O ' HG23 ' A' ' 349' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 276' ' ' GLU . . . . . 0.744 ' CG ' ' H ' ' A' ' 278' ' ' ALA . 4.6 tt0 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 277' ' ' VAL . . . . . 0.909 ' O ' HD22 ' A' ' 356' ' ' LEU . 2.3 t -66.33 -16.44 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 278' ' ' ALA . . . . . 0.788 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -86.48 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 0.843 HD13 ' O ' ' A' ' 279' ' ' ILE . 0.1 OUTLIER -36.51 -38.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . 0.624 ' HG3' ' H ' ' A' ' 281' ' ' ILE . 0.0 OUTLIER -76.56 -48.12 20.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 281' ' ' ILE . . . . . 0.717 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.1 OUTLIER -74.5 -44.79 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 282' ' ' PHE . . . . . 0.788 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.6 OUTLIER -50.78 -45.36 59.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 283' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 284' ' ' GLY . 12.5 pt20 -69.45 -34.3 74.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 284' ' ' GLY . . . . . 0.483 ' N ' ' HG3' ' A' ' 283' ' ' GLN . . . -84.24 -56.53 2.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 285' ' ' CYS . . . . . 0.717 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.0 OUTLIER -54.74 -16.35 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 286' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 4.4 tm0? -103.32 -27.98 12.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 287' ' ' PHE . . . . . 0.8 ' O ' HG22 ' A' ' 290' ' ' VAL . 29.0 t80 -51.48 -45.37 62.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -22.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 289' ' ' SER . . . . . 0.57 ' O ' HG12 ' A' ' 293' ' ' VAL . 0.3 OUTLIER -80.04 -54.2 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.023 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 290' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 287' ' ' PHE . 3.5 m -50.94 -22.46 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 294' ' ' GLN . 57.2 mt-10 -84.11 -59.76 2.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . 0.684 ' HB3' ' CD1' ' A' ' 326' ' ' ILE . . . -34.67 -56.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.245 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 289' ' ' SER . 0.3 OUTLIER -39.59 -45.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 294' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.15 -27.63 59.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 295' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 292' ' ' ALA . 10.5 mm-40 -76.55 -50.13 14.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . 0.977 HG21 HD21 ' A' ' 318' ' ' LEU . 2.3 mp -46.98 -65.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 297' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -37.36 -62.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.31 -27.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 299' ' ' TYR . . . . . 0.774 ' O ' ' HB2' ' A' ' 302' ' ' SER . 1.0 OUTLIER -105.5 -36.35 7.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 1.013 ' HB1' ' CE2' ' A' ' 306' ' ' PHE . . . -53.47 -54.56 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -49.89 -0.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 302' ' ' SER . . . . . 0.774 ' HB2' ' O ' ' A' ' 299' ' ' TYR . 8.6 t -71.2 -41.19 70.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 303' ' ' ILE . . . . . 0.968 HG21 HD21 ' A' ' 413' ' ' LEU . 0.5 OUTLIER -69.82 124.32 90.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 45.91 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.462 1.77 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . 0.568 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -159.29 -29.1 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 1.013 ' CE2' ' HB1' ' A' ' 300' ' ' ALA . 2.7 t80 -56.48 -61.08 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -22.35 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -75.43 -13.76 60.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.839 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.9 mt -67.47 -108.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 310' ' ' ASP . . . . . 0.774 ' HB3' ' HB2' ' A' ' 313' ' ' ASP . 8.7 t70 -146.91 155.13 42.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 311' ' ' LEU . 0.1 OUTLIER -53.37 -48.39 68.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 312' ' ' ASN . . . . . 0.902 ' HB2' HD11 ' A' ' 401' ' ' LEU . 31.8 m-80 -81.21 -58.87 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 313' ' ' ASP . . . . . 1.113 ' OD2' HD11 ' A' ' 406' ' ' ILE . 6.3 t0 -36.52 -46.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 314' ' ' GLN . . . . . 0.669 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 23.5 mt-30 -61.57 -60.46 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.73 -48.31 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.736 HG21 ' C ' ' A' ' 399' ' ' GLY . 3.0 m -44.32 -55.26 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 317' ' ' LEU . . . . . 0.968 HD11 HD21 ' A' ' 400' ' ' LEU . 0.0 OUTLIER -48.5 -55.51 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 318' ' ' LEU . . . . . 0.977 HD21 HG21 ' A' ' 296' ' ' ILE . 0.2 OUTLIER -60.23 -43.41 96.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 319' ' ' LYS . . . . . 0.616 ' NZ ' ' O ' ' A' ' 473' ' ' TYR . 0.7 OUTLIER -45.1 -29.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 320' ' ' TYR . . . . . 0.481 ' CB ' ' HB3' ' A' ' 397' ' ' ARG . 1.9 t80 -131.97 4.98 4.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 321' ' ' GLY . . . . . 0.782 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -103.92 -47.48 1.26 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 322' ' ' VAL . . . . . 0.951 ' HB ' HD23 ' A' ' 318' ' ' LEU . 2.7 p -44.59 -24.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . 0.512 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 16.4 m-70 -66.14 -58.7 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.563 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 324' ' ' GLU . . . . . 0.883 ' HA ' HD12 ' A' ' 442' ' ' LEU . 2.8 mt-10 -70.31 6.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 325' ' ' ILE . . . . . 0.872 ' O ' HG22 ' A' ' 328' ' ' THR . 1.1 mp -106.6 -46.67 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 326' ' ' ILE . . . . . 0.828 HD11 HG22 ' A' ' 322' ' ' VAL . 10.6 mt -79.3 -39.64 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.759 ' CD2' HG22 ' A' ' 446' ' ' VAL . 27.4 m-85 -76.71 -20.91 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' THR . . . . . 0.876 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 6.5 t -72.52 -56.89 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.555 ' N ' ' CG2' ' A' ' 328' ' ' THR . 13.7 ptt? -78.86 -21.48 47.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.62 ' O ' ' N ' ' A' ' 333' ' ' LEU . 2.3 mt -51.3 -57.27 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 331' ' ' ALA . . . . . 1.033 ' HB2' ' CE2' ' A' ' 370' ' ' PHE . . . -32.58 -50.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . 0.654 ' O ' ' NE ' ' A' ' 234' ' ' ARG . 69.1 m -60.91 -45.8 93.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.053 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.695 ' N ' HD13 ' A' ' 333' ' ' LEU . 0.0 OUTLIER -70.98 13.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' MET . . . . . 0.696 ' HB2' ' O ' ' A' ' 331' ' ' ALA . 3.2 mmt -94.49 170.46 9.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' ASN . . . . . 0.56 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 0.8 OUTLIER -145.68 165.26 29.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' LYS . . . . . 0.56 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -40.07 -51.8 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 5.7 m-20 -143.62 42.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . 0.776 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -163.93 175.84 40.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . 0.733 ' O ' HG23 ' A' ' 341' ' ' ILE . 7.4 p -143.41 132.96 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 0.869 HD23 ' HB1' ' A' ' 233' ' ' ALA . 0.4 OUTLIER -53.71 128.9 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' ILE . . . . . 0.733 HG23 ' O ' ' A' ' 339' ' ' VAL . 3.1 pt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . 0.537 ' HA3' ' CA ' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 0.67 ' HA ' HG23 ' A' ' 341' ' ' ILE . 0.3 OUTLIER -170.65 149.3 3.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 110.974 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.603 ' H ' HG23 ' A' ' 341' ' ' ILE . 0.0 OUTLIER -96.8 121.86 39.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' THR . . . . . 0.776 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 1.3 p -69.6 150.81 46.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . 0.824 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 25.6 ttp180 -65.33 -52.93 50.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 351' ' ' GLU . . . . . 0.595 ' O ' ' CB ' ' A' ' 355' ' ' SER . 0.8 OUTLIER -39.9 -23.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 352' ' ' PHE . . . . . 0.59 ' CD2' ' HE3' ' A' ' 348' ' ' MET . 0.5 OUTLIER -87.04 -61.29 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 353' ' ' LEU . . . . . 0.719 ' HA ' HD21 ' A' ' 356' ' ' LEU . 0.3 OUTLIER -68.19 -24.55 64.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 354' ' ' LYS . . . . . 0.75 ' HA ' ' O ' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -91.44 -19.74 22.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 0.0 OUTLIER -55.99 -42.81 76.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.979 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 356' ' ' LEU . . . . . 1.108 HD12 ' HA2' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -41.68 175.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 357' ' ' ARG . . . . . 0.696 ' HG3' ' C ' ' A' ' 360' ' ' PHE . 0.6 OUTLIER -34.55 129.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 358' ' ' LYS . . . . . 0.801 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -31.78 -53.5 0.5 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 359' ' ' PRO . . . . . 0.801 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.01 -90.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 360' ' ' PHE . . . . . 1.206 ' CE1' HD13 ' A' ' 456' ' ' ILE . 2.9 m-85 -67.84 39.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 361' ' ' GLY . . . . . 1.108 ' HA2' HD12 ' A' ' 356' ' ' LEU . . . -138.65 22.15 3.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 362' ' ' ASP . . . . . 0.55 ' OD1' ' O ' ' A' ' 358' ' ' LYS . 0.0 OUTLIER -172.03 72.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 363' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -97.09 6.73 48.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 364' ' ' MET . . . . . 0.549 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 1.1 ttt -121.07 -6.28 9.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 365' ' ' GLU . . . . . 0.824 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 4.6 tp10 -58.61 -38.3 63.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.96 -18.97 18.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 367' ' ' LYS . . . . . 0.634 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 25.1 mttp -77.1 -47.86 19.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 368' ' ' PHE . . . . . 0.679 ' CE1' ' HB ' ' A' ' 339' ' ' VAL . 4.3 m-30 -58.45 -48.38 80.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . 0.655 ' O ' HG12 ' A' ' 372' ' ' VAL . 4.5 tt0 -60.64 -46.81 88.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 370' ' ' PHE . . . . . 1.033 ' CE2' ' HB2' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -60.07 -35.73 75.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 371' ' ' ALA . . . . . 0.897 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -66.74 -60.72 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 372' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 369' ' ' GLU . 4.3 p -50.38 -20.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 373' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -95.52 -26.5 15.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 374' ' ' PHE . . . . . 0.696 ' CZ ' ' HG3' ' A' ' 438' ' ' LYS . 0.2 OUTLIER -87.04 -41.52 13.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . 0.518 ' OD1' ' C ' ' A' ' 371' ' ' ALA . 3.1 m120 -55.24 -16.95 3.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -90.64 35.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 1.0 OUTLIER -173.71 4.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 378' ' ' GLU . . . . . 0.743 ' O ' HD23 ' A' ' 379' ' ' LEU . 1.1 mt-10 -80.18 -174.19 4.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 378' ' ' GLU . 22.2 mt -134.26 -126.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 380' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 382' ' ' SER . 56.8 p30 -116.84 140.23 49.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . 0.836 ' HA ' HD12 ' A' ' 384' ' ' LEU . 60.4 m-20 -27.05 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 380' ' ' ASP . 0.3 OUTLIER -46.51 -68.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . 0.406 ' OD2' ' CB ' ' A' ' 379' ' ' LEU . 8.7 m-20 -58.93 -25.25 63.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 381' ' ' ASP . 10.5 mt -75.02 -53.3 9.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . 0.717 ' HA ' ' CE2' ' A' ' 222' ' ' TYR . . . -66.57 17.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.694 ' H ' ' C ' ' A' ' 384' ' ' LEU . 3.1 mm -118.69 -67.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 387' ' ' PHE . . . . . 1.099 ' O ' HG22 ' A' ' 390' ' ' VAL . 0.3 OUTLIER -50.26 -31.39 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 388' ' ' ILE . . . . . 0.599 HG12 HG13 ' A' ' 325' ' ' ILE . 0.0 OUTLIER -53.03 -48.4 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . 0.448 ' O ' HD13 ' A' ' 413' ' ' LEU . . . -62.9 -33.12 74.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 1.099 HG22 ' O ' ' A' ' 387' ' ' PHE . 0.9 OUTLIER -67.32 -23.6 30.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.86 HG22 HD12 ' A' ' 325' ' ' ILE . 68.0 mt -79.94 -22.54 11.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 392' ' ' ILE . . . . . 0.746 ' CG2' ' CE1' ' A' ' 306' ' ' PHE . 7.0 mm -75.86 -56.21 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.775 ' CD1' ' HB ' ' A' ' 409' ' ' ILE . 4.1 mm? -66.63 35.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 394' ' ' SER . . . . . 0.678 ' H ' ' C ' ' A' ' 392' ' ' ILE . 75.2 m -86.95 93.9 9.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 395' ' ' GLY . . . . . 0.574 ' N ' ' CG2' ' A' ' 406' ' ' ILE . . . -74.31 63.03 2.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 0.0 111.069 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 396' ' ' ASP . . . . . 0.409 ' C ' ' HD3' ' A' ' 397' ' ' ARG . 1.3 t70 -149.35 18.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 397' ' ' ARG . . . . . 0.547 ' HG3' ' HA ' ' A' ' 317' ' ' LEU . 4.0 mmt180 -95.68 155.76 38.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . 0.572 ' O ' HG23 ' A' ' 316' ' ' THR . 18.2 Cg_endo -75.01 128.04 11.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . 0.736 ' C ' HG21 ' A' ' 316' ' ' THR . . . 91.62 37.3 6.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 1.095 HD23 ' OD1' ' A' ' 313' ' ' ASP . 0.2 OUTLIER -87.96 139.92 30.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.902 HD11 ' HB2' ' A' ' 312' ' ' ASN . 17.9 mt -97.69 -68.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . 1.333 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 4.6 m120 -110.07 83.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 403' ' ' VAL . . . . . 0.932 ' HA ' HD13 ' A' ' 406' ' ' ILE . 1.2 t -69.18 -3.11 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.664 ' N ' ' CD ' ' A' ' 405' ' ' PRO . 3.0 mtmt -79.45 -42.91 1.61 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . 1.333 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -24.16 13.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . 1.267 ' CD1' ' O ' ' A' ' 402' ' ' ASN . 4.1 mp -70.51 -51.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.2 -18.33 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . 0.558 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 93.4 m-20 -79.25 -58.11 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' ILE . . . . . 0.775 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 20.3 mm -58.03 -25.15 25.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . 0.761 ' OE1' HD11 ' A' ' 414' ' ' LEU . 0.0 OUTLIER -71.14 -43.97 66.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -46.97 -25.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 410' ' ' GLN . 1.0 OUTLIER -86.58 -50.63 6.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.968 HD21 HG21 ' A' ' 303' ' ' ILE . 2.7 mt -54.31 -41.45 69.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.825 HD12 ' HB ' ' A' ' 390' ' ' VAL . 9.1 mp -60.36 -46.16 90.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.635 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 40.6 mt-30 -51.96 -57.61 8.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 1.086 ' HB2' HD23 ' A' ' 214' ' ' LEU . . . -46.25 -50.6 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . 0.974 ' C ' HD22 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -46.15 -82.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' GLU . . . . . 0.891 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.9 OUTLIER -56.01 -17.09 5.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 1.187 ' CD1' HD22 ' A' ' 211' ' ' LEU . 0.3 OUTLIER -68.58 -82.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' GLN . . . . . 0.768 ' N ' HD23 ' A' ' 419' ' ' LEU . 0.0 OUTLIER -60.83 -5.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.853 HD22 ' O ' ' A' ' 421' ' ' LEU . 0.1 OUTLIER -88.5 -54.29 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 418' ' ' GLU . 0.0 OUTLIER -78.83 9.91 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.661 ' CD1' HD21 ' A' ' 211' ' ' LEU . 12.1 mt -118.59 -39.84 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.628 ' CG ' ' CD2' ' A' ' 425' ' ' HIS . 42.1 p-10 -82.3 -13.44 56.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.747 ' CE1' HD23 ' A' ' 421' ' ' LEU . 33.0 p80 172.37 76.41 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.52 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.98 153.67 42.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 428' ' ' SER . 29.8 tt0 175.5 134.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' SER . . . . . 0.622 ' CB ' HD23 ' A' ' 431' ' ' LEU . 0.3 OUTLIER 87.17 -148.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 3.0 p -124.87 -77.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' GLN . . . . . 0.578 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -97.58 26.92 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . 0.622 HD23 ' CB ' ' A' ' 428' ' ' SER . 0.2 OUTLIER -39.01 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' PHE . . . . . 0.74 ' C ' ' CD1' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -85.45 -49.25 8.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -44.17 -23.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . 0.579 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 1.2 ptpm? -99.72 -47.76 4.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' LEU . . . . . 0.516 ' HA ' ' CE ' ' A' ' 438' ' ' LYS . 0.4 OUTLIER -37.51 -38.8 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' A' ' 439' ' ' MET . 50.9 mt -78.88 -48.78 14.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' GLN . . . . . 0.65 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 2.0 mm-40 -42.12 -17.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.696 ' HG3' ' CZ ' ' A' ' 374' ' ' PHE . 0.2 OUTLIER -52.43 -25.98 11.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 0.0 OUTLIER -25.85 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.642 ' O ' ' N ' ' A' ' 444' ' ' GLN . 73.1 p -30.85 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.521 ' O ' HG13 ' A' ' 445' ' ' ILE . 1.3 m-20 -41.05 -25.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 324' ' ' GLU . 0.5 OUTLIER -75.83 -82.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 439' ' ' MET . 1.2 ttt180 -58.25 -25.62 61.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.841 ' O ' HG22 ' A' ' 447' ' ' THR . 0.0 OUTLIER -71.55 -73.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 1.114 HG22 ' CE1' ' A' ' 449' ' ' HIS . 25.4 mt -49.09 -27.83 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.759 HG22 ' CD2' ' A' ' 327' ' ' TYR . 1.2 t -60.48 -71.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 444' ' ' GLN . 4.3 t -40.66 -28.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 446' ' ' VAL . 1.2 mm-40 -77.24 -53.74 7.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' HIS . . . . . 1.114 ' CE1' HG22 ' A' ' 445' ' ' ILE . 33.9 m170 -43.83 -27.39 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' VAL . . . . . 0.849 HG12 ' HB2' ' A' ' 454' ' ' GLN . 11.4 t -80.83 -57.71 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 450' ' ' VAL . 0.4 OUTLIER -36.74 -29.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 450' ' ' VAL . 6.1 mt -82.22 -75.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 457' ' ' LYS . 2.7 pp -58.91 -13.44 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' GLN . . . . . 0.849 ' HB2' HG12 ' A' ' 450' ' ' VAL . 0.2 OUTLIER -80.72 -51.34 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 455' ' ' VAL . 53.2 t -70.97 -5.17 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . 1.206 HD13 ' CE1' ' A' ' 360' ' ' PHE . 1.0 OUTLIER -105.04 -59.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' LYS . . . . . 0.624 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 13.0 pttt -49.32 -20.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' LYS . . . . . 0.655 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -101.03 -39.44 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 459' ' ' THR . 2.2 m -132.3 48.34 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.801 ' N ' ' O ' ' A' ' 456' ' ' ILE . 3.1 mm-40 -42.89 167.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.3 OUTLIER -67.5 -23.16 65.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.9 OUTLIER 171.66 59.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' MET . . . . . 0.447 ' HB3' ' O ' ' A' ' 462' ' ' ASP . 0.0 OUTLIER 65.2 118.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 171.47 92.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.589 ' HA ' ' CE1' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -174.57 -145.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . 0.972 ' CG ' ' HD2' ' A' ' 467' ' ' PRO . 3.0 t-80 -117.18 156.71 48.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.619 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . 0.972 ' HD2' ' CG ' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.98 129.72 12.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 467' ' ' PRO . 0.2 OUTLIER 83.22 4.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' LEU . . . . . 0.658 HD23 ' H ' ' A' ' 473' ' ' TYR . 0.8 OUTLIER 80.32 69.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.705 ' HA ' ' CG ' ' A' ' 466' ' ' HIS . 12.9 pt20 47.31 52.06 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' GLU . . . . . 0.554 ' H ' ' CE1' ' A' ' 466' ' ' HIS . 38.4 mt-10 61.42 32.67 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . 0.509 ' O ' ' C ' ' A' ' 473' ' ' TYR . 0.3 OUTLIER 67.42 82.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' TYR . . . . . 0.658 ' H ' HD23 ' A' ' 469' ' ' LEU . 53.3 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 210' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 214' ' ' LEU . 48.3 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 1.028 ' CD1' HD11 ' A' ' 419' ' ' LEU . 0.2 OUTLIER -43.89 -83.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 212' ' ' ARG . . . . . 0.515 ' N ' HD12 ' A' ' 211' ' ' LEU . 0.2 OUTLIER -91.17 -9.48 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -76.63 -59.92 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 214' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 416' ' ' ALA . 2.9 tp -57.48 -51.54 69.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -43.8 -63.42 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . 0.632 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -52.88 -27.02 16.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 217' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 220' ' ' ASP . 16.4 t60 -70.94 -72.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 109.588 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.674 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 0.3 OUTLIER -34.49 -53.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 219' ' ' TYR . . . . . 0.648 ' CE1' ' CD1' ' A' ' 223' ' ' ILE . 15.2 t80 -68.67 -35.66 77.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . 0.632 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 0.4 OUTLIER -59.66 -74.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 221' ' ' SER . . . . . 0.713 ' CB ' ' CB ' ' A' ' 302' ' ' SER . 33.0 p -52.31 -25.51 9.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 222' ' ' TYR . . . . . 0.736 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 30.0 t80 -73.29 -55.57 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 223' ' ' ILE . . . . . 0.648 ' CD1' ' CE1' ' A' ' 219' ' ' TYR . 0.9 OUTLIER -48.88 -12.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.5 OUTLIER -93.21 -45.36 7.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . 0.743 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 47.7 t -39.48 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 226' ' ' PHE . . . . . 0.68 ' CD1' ' OE1' ' A' ' 295' ' ' GLU . 1.3 t80 -141.2 144.82 36.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 227' ' ' PRO . . . . . 0.652 ' HD2' ' CD1' ' A' ' 226' ' ' PHE . 18.3 Cg_endo -74.96 -40.27 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.532 1.806 . . . . 0.0 111.041 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.881 HD12 ' HG ' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -60.83 115.48 3.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 227' ' ' PRO . 44.3 p -135.38 -161.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -83.04 -27.79 30.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . 0.837 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -78.63 -40.51 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 232' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 235' ' ' ALA . 1.5 mttm -75.53 -41.36 55.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 233' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 237' ' ' LEU . . . -66.13 -51.08 61.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.908 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -74.7 -5.09 41.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . 0.906 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -73.57 -67.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.6 HG21 ' HA ' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -63.36 -35.08 70.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 237' ' ' LEU . . . . . 1.058 HD13 HD21 ' A' ' 340' ' ' LEU . 0.2 OUTLIER -59.67 -34.77 73.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 238' ' ' THR . . . . . 0.625 ' O ' ' C ' ' A' ' 239' ' ' GLY . 0.7 OUTLIER -149.78 -41.52 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . 0.906 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . 0.83 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 247' ' ' PHE . . . . . 0.774 ' CG ' ' O ' ' A' ' 247' ' ' PHE . 0.5 OUTLIER -16.0 72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 1.044 HG23 ' CZ ' ' A' ' 347' ' ' PHE . 13.1 p -57.68 138.48 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 249' ' ' ILE . . . . . 0.766 HG21 ' CD1' ' A' ' 341' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 276' ' ' GLU . . . . . 0.652 ' OE1' ' HB3' ' A' ' 278' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 277' ' ' VAL . . . . . 0.495 ' CG2' ' HB3' ' A' ' 356' ' ' LEU . 6.1 p -34.94 -43.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 278' ' ' ALA . . . . . 0.733 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -59.05 -71.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 0.87 HD11 ' HA ' ' A' ' 465' ' ' LEU . 0.4 OUTLIER -34.11 -33.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -76.21 -54.03 7.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 281' ' ' ILE . . . . . 0.697 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.6 OUTLIER -76.76 -42.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 282' ' ' PHE . . . . . 0.733 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.7 OUTLIER -54.33 -45.82 72.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 283' ' ' GLN . . . . . 0.469 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 14.0 pt20 -68.77 -34.64 75.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 284' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -82.95 -59.22 2.22 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 285' ' ' CYS . . . . . 0.697 ' N ' ' O ' ' A' ' 281' ' ' ILE . 8.1 p -53.22 -16.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 286' ' ' GLN . . . . . 0.53 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 24.2 tt0 -104.6 -25.26 12.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 287' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 290' ' ' VAL . 26.6 t80 -53.01 -32.06 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -21.48 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 289' ' ' SER . . . . . 0.537 ' O ' HG23 ' A' ' 293' ' ' VAL . 31.1 t -84.76 -56.58 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 290' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.8 m -47.41 -28.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . 0.586 ' O ' ' N ' ' A' ' 294' ' ' GLN . 28.1 mt-10 -77.2 -60.86 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . 0.781 ' HB1' HG12 ' A' ' 326' ' ' ILE . . . -36.4 -53.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . 0.71 ' HA ' HG21 ' A' ' 322' ' ' VAL . 23.4 t -42.75 -40.35 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 294' ' ' GLN . . . . . 0.586 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.9 mt-30 -77.3 -26.7 52.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 295' ' ' GLU . . . . . 0.68 ' OE1' ' CD1' ' A' ' 226' ' ' PHE . 8.3 mt-10 -78.68 -47.45 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . 0.76 HG12 HG21 ' A' ' 325' ' ' ILE . 1.6 mp -51.35 -63.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 297' ' ' THR . . . . . 0.517 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -39.64 -62.53 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 297' ' ' THR . 0.1 OUTLIER -42.77 -26.6 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 299' ' ' TYR . . . . . 0.743 ' HB2' ' HB2' ' A' ' 225' ' ' SER . 0.8 OUTLIER -104.84 -34.38 8.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.965 ' HB1' ' CE2' ' A' ' 306' ' ' PHE . . . -59.04 -54.62 45.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 301' ' ' LYS . . . . . 0.46 ' HG2' HG22 ' A' ' 307' ' ' VAL . 56.6 mttt -53.75 1.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 302' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 300' ' ' ALA . 18.2 p -74.5 -38.96 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 303' ' ' ILE . . . . . 0.896 HG21 HD21 ' A' ' 413' ' ' LEU . 0.7 OUTLIER -64.31 126.56 90.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 46.96 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . 0.562 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -162.52 -28.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.965 ' CE2' ' HB1' ' A' ' 300' ' ' ALA . 1.3 t80 -56.84 -60.69 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.749 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 307' ' ' VAL . . . . . 0.46 HG22 ' HG2' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -65.91 -23.21 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -71.82 -15.44 62.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.798 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.2 mt -68.88 -109.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 310' ' ' ASP . . . . . 0.77 ' CG ' HD12 ' A' ' 401' ' ' LEU . 7.2 t70 -141.88 153.28 44.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . 0.572 ' H ' HD23 ' A' ' 311' ' ' LEU . 0.2 OUTLIER -56.36 -47.09 79.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 312' ' ' ASN . . . . . 0.859 ' HB2' HD11 ' A' ' 401' ' ' LEU . 58.3 m-80 -79.87 -59.3 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 313' ' ' ASP . . . . . 1.003 ' OD1' HD11 ' A' ' 406' ' ' ILE . 22.9 t0 -35.84 -52.01 0.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 314' ' ' GLN . . . . . 0.728 ' HA ' HD21 ' A' ' 317' ' ' LEU . 32.1 mt-30 -57.83 -50.68 72.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 315' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 312' ' ' ASN . 26.3 t -63.15 -47.45 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.897 HG21 ' C ' ' A' ' 399' ' ' GLY . 1.6 m -47.52 -63.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 317' ' ' LEU . . . . . 0.728 HD21 ' HA ' ' A' ' 314' ' ' GLN . 1.0 OUTLIER -46.78 -46.71 20.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 318' ' ' LEU . . . . . 0.874 HD23 ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -64.29 -46.34 84.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 319' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 315' ' ' VAL . 4.8 tptt -40.28 -43.33 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 320' ' ' TYR . . . . . 0.57 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 2.5 m-85 -116.38 3.61 13.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 321' ' ' GLY . . . . . 0.708 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -102.06 -54.05 0.93 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 322' ' ' VAL . . . . . 0.874 ' HB ' HD23 ' A' ' 318' ' ' LEU . 1.5 p -41.3 -25.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . 0.608 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 26.3 m170 -71.52 -45.95 61.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 324' ' ' GLU . . . . . 0.769 ' O ' ' HB ' ' A' ' 328' ' ' THR . 5.0 mt-10 -73.7 5.25 4.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 325' ' ' ILE . . . . . 0.814 ' CD1' HG22 ' A' ' 391' ' ' ILE . 1.1 mp -110.62 -47.36 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 326' ' ' ILE . . . . . 0.81 HD11 HG22 ' A' ' 322' ' ' VAL . 3.2 mt -77.01 -39.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.679 ' CD2' HG22 ' A' ' 446' ' ' VAL . 21.5 m-30 -76.73 -22.74 53.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' THR . . . . . 0.947 ' N ' HD11 ' A' ' 442' ' ' LEU . 0.6 OUTLIER -72.43 -60.2 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.635 ' N ' ' CG2' ' A' ' 328' ' ' THR . 19.9 ptt? -73.96 -19.83 60.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.572 ' CG ' ' O ' ' A' ' 326' ' ' ILE . 1.8 mt -49.94 -45.83 51.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 331' ' ' ALA . . . . . 0.8 ' HB1' ' CB ' ' A' ' 371' ' ' ALA . . . -44.3 -54.41 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . 0.908 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 56.8 m -58.27 -21.49 48.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.017 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.881 ' HG ' HD12 ' A' ' 228' ' ' LEU . 0.0 OUTLIER -94.65 17.51 13.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' MET . . . . . 0.656 ' HG3' ' HA ' ' A' ' 368' ' ' PHE . 5.8 mmt -99.79 178.02 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' ASN . . . . . 0.627 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.8 t-20 -145.67 169.67 18.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' LYS . . . . . 0.755 ' O ' ' CZ ' ' A' ' 368' ' ' PHE . 0.0 OUTLIER -49.94 -46.8 52.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' ASP . . . . . 0.547 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 0.5 OUTLIER -140.59 39.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . 0.71 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -169.93 -169.43 33.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 341' ' ' ILE . 0.1 OUTLIER -153.13 128.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 1.058 HD21 HD13 ' A' ' 237' ' ' LEU . 3.5 mm? -39.2 159.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' ILE . . . . . 0.834 HG23 ' HA ' ' A' ' 347' ' ' PHE . 1.4 pt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . 0.67 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 1.044 ' CZ ' HG23 ' A' ' 248' ' ' VAL . 0.3 OUTLIER -168.91 133.55 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.829 ' HB3' HD21 ' A' ' 353' ' ' LEU . 9.0 mmm -88.05 115.75 25.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' THR . . . . . 0.71 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.0 p -61.97 150.49 37.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . 0.722 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 2.1 ttm180 -64.23 -51.68 62.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 351' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 355' ' ' SER . 0.0 OUTLIER -45.53 -18.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 352' ' ' PHE . . . . . 0.635 ' CD2' ' SD ' ' A' ' 348' ' ' MET . 0.9 OUTLIER -90.12 -62.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 353' ' ' LEU . . . . . 0.829 HD21 ' HB3' ' A' ' 348' ' ' MET . 0.2 OUTLIER -55.06 -52.77 62.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 354' ' ' LYS . . . . . 0.667 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.2 OUTLIER -61.88 -34.49 76.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 0.6 OUTLIER -54.01 75.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 356' ' ' LEU . . . . . 0.667 ' N ' ' O ' ' A' ' 354' ' ' LYS . 0.2 OUTLIER 174.27 -166.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 357' ' ' ARG . . . . . 0.608 ' NE ' ' OE1' ' A' ' 276' ' ' GLU . 2.4 mtt180 -26.58 124.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 358' ' ' LYS . . . . . 0.788 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.67 -52.73 1.42 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 359' ' ' PRO . . . . . 0.788 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.0 -71.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.56 1.821 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 360' ' ' PHE . . . . . 0.712 ' CZ ' ' CD2' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -46.86 -13.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 361' ' ' GLY . . . . . 0.611 ' CA ' HD12 ' A' ' 356' ' ' LEU . . . -107.61 51.05 0.75 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 362' ' ' ASP . . . . . 0.65 ' HA ' ' HG3' ' A' ' 354' ' ' LYS . 1.0 OUTLIER 169.51 61.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 109.245 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 363' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 364' ' ' MET . 0.1 OUTLIER -121.78 -8.73 8.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 364' ' ' MET . . . . . 0.538 ' HB2' ' CE1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -125.52 0.18 7.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 365' ' ' GLU . . . . . 0.722 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 9.0 tp10 -68.0 -37.84 12.53 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.813 ' HB2' HG23 ' A' ' 445' ' ' ILE . 18.4 Cg_endo -74.99 -25.97 11.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 367' ' ' LYS . . . . . 0.594 ' CB ' ' CE ' ' A' ' 334' ' ' MET . 20.3 mtmm -72.28 -48.48 42.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 368' ' ' PHE . . . . . 0.755 ' CZ ' ' O ' ' A' ' 336' ' ' LYS . 0.0 OUTLIER -69.82 -39.67 76.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -58.24 -46.94 85.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 370' ' ' PHE . . . . . 1.06 ' CD2' HD11 ' A' ' 445' ' ' ILE . 0.6 OUTLIER -73.63 -33.01 64.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 371' ' ' ALA . . . . . 0.8 ' CB ' ' HB1' ' A' ' 331' ' ' ALA . . . -55.93 -47.99 76.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 4.7 t -61.18 -14.37 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 373' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -102.89 -25.68 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 374' ' ' PHE . . . . . 0.625 ' CZ ' ' HG3' ' A' ' 438' ' ' LYS . 0.3 OUTLIER -90.58 -35.56 14.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . 0.47 ' OD1' ' NE ' ' A' ' 234' ' ' ARG . 2.3 m-80 -55.8 -11.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -86.0 28.7 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 0.8 OUTLIER -160.68 3.68 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 378' ' ' GLU . . . . . 0.433 ' OE1' ' OG ' ' A' ' 332' ' ' SER . 0.2 OUTLIER -81.91 128.31 33.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.811 HD12 ' CG ' ' A' ' 425' ' ' HIS . 0.4 OUTLIER -83.5 -107.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 380' ' ' ASP . . . . . 0.591 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 52.3 p30 -131.11 142.07 50.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 385' ' ' ALA . 10.4 m-20 -35.75 -29.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . 0.61 ' HA ' ' CD1' ' A' ' 219' ' ' TYR . 62.1 m -57.29 -67.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . 0.538 ' OD1' ' NE2' ' A' ' 420' ' ' GLN . 1.7 m-20 -58.26 -31.7 67.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.674 ' O ' ' CD2' ' A' ' 387' ' ' PHE . 9.4 mt -71.23 -58.52 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . 0.713 ' HB1' ' CG ' ' A' ' 222' ' ' TYR . . . -33.91 -38.59 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.471 ' O ' ' C ' ' A' ' 387' ' ' PHE . 2.6 mt -64.37 -59.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 387' ' ' PHE . . . . . 0.945 ' CD1' ' N ' ' A' ' 388' ' ' ILE . 0.1 OUTLIER -31.22 -47.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 388' ' ' ILE . . . . . 0.945 ' N ' ' CD1' ' A' ' 387' ' ' PHE . 0.2 OUTLIER -39.52 -66.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . 0.734 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -56.33 -27.79 56.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.912 HG22 ' NE2' ' A' ' 410' ' ' GLN . 1.2 t -82.16 3.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.814 HG22 ' CD1' ' A' ' 325' ' ' ILE . 21.0 mm -113.57 -19.97 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 392' ' ' ILE . . . . . 0.702 ' C ' ' H ' ' A' ' 394' ' ' SER . 2.6 pt -93.32 -48.44 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.852 HD23 HD11 ' A' ' 413' ' ' LEU . 1.3 mm? -64.06 15.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 394' ' ' SER . . . . . 0.702 ' H ' ' C ' ' A' ' 392' ' ' ILE . 10.2 m -86.51 106.84 17.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 395' ' ' GLY . . . . . 0.631 ' HA3' HG22 ' A' ' 403' ' ' VAL . . . -81.26 66.71 3.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 396' ' ' ASP . . . . . 0.408 ' OD2' ' NH2' ' A' ' 443' ' ' ARG . 7.5 t0 -114.14 -18.0 11.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 397' ' ' ARG . . . . . 0.582 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -64.14 128.23 92.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 5.44 3.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . 0.897 ' C ' HG21 ' A' ' 316' ' ' THR . . . -126.45 34.97 3.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.607 HD13 ' HA2' ' A' ' 395' ' ' GLY . 21.7 mt -91.95 163.16 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.859 HD11 ' HB2' ' A' ' 312' ' ' ASN . 17.5 mt -110.77 -59.77 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . 0.775 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 1.7 m120 -109.95 85.11 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 403' ' ' VAL . . . . . 0.902 ' HA ' HD12 ' A' ' 406' ' ' ILE . 1.0 OUTLIER -78.96 -15.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.618 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -69.15 -49.5 24.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . 0.775 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.05 -26.9 10.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . 1.003 HD11 ' OD1' ' A' ' 313' ' ' ASP . 56.7 mt -60.3 -81.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -51.17 -21.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . 0.618 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 9.0 m-20 -72.03 -53.8 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' ILE . . . . . 0.765 HG22 ' HG ' ' A' ' 393' ' ' LEU . 15.7 mm -58.7 -21.67 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . 0.912 ' NE2' HG22 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -73.48 -40.29 64.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.08 -24.58 1.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.83 -57.74 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.896 HD21 HG21 ' A' ' 303' ' ' ILE . 0.2 OUTLIER -51.92 -30.03 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -47.46 59.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.556 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 45.7 mt-30 -47.49 -57.57 5.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.634 ' HB2' HD23 ' A' ' 214' ' ' LEU . . . -56.95 -47.14 81.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . 1.058 HD11 ' HB2' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -44.21 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' GLU . . . . . 0.985 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -54.69 -23.15 16.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 1.028 HD11 ' CD1' ' A' ' 211' ' ' LEU . 0.2 OUTLIER -66.55 -82.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' GLN . . . . . 0.637 ' NE2' ' ND2' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -55.4 -10.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.533 ' HG ' ' CE1' ' A' ' 425' ' ' HIS . 0.7 OUTLIER -88.68 -50.82 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 14.5 mtpt -72.08 -3.28 22.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.452 HD12 ' HG ' ' A' ' 419' ' ' LEU . 14.9 mt -102.21 -48.08 4.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.637 ' ND2' ' NE2' ' A' ' 420' ' ' GLN . 72.4 m-20 -73.41 -8.69 56.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.811 ' CG ' HD12 ' A' ' 379' ' ' LEU . 0.0 OUTLIER -166.0 69.38 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.617 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.612 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.98 102.89 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 428' ' ' SER . 3.9 tm-20 -172.52 134.08 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 427' ' ' GLU . 2.7 t 87.37 -152.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' SER . . . . . 0.468 ' C ' ' CG ' ' A' ' 430' ' ' GLN . 8.6 p -148.98 142.09 24.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' GLN . . . . . 0.692 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER 49.07 25.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 27.3 tp -39.94 -29.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' PHE . . . . . 1.058 ' HB2' HD11 ' A' ' 417' ' ' LEU . 37.0 p90 -85.5 -46.94 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' ALA . . . . . 0.692 ' HB3' ' HB2' ' A' ' 430' ' ' GLN . . . -39.49 -27.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . 0.512 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.0 OUTLIER -97.09 -46.86 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' LEU . . . . . 0.782 HD11 HD23 ' A' ' 379' ' ' LEU . 0.4 OUTLIER -45.37 -35.07 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.651 HD21 ' HA ' ' A' ' 433' ' ' ALA . 3.6 pp -76.05 -46.04 31.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 440' ' ' THR . 1.9 mm-40 -47.75 -12.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.625 ' HG3' ' CZ ' ' A' ' 374' ' ' PHE . 0.0 OUTLIER -49.77 -23.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' MET . . . . . 0.55 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.02 -43.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.695 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 53.7 p -34.14 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.855 ' OD2' HD22 ' A' ' 442' ' ' LEU . 0.0 OUTLIER -41.59 -25.23 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' LEU . . . . . 0.947 HD11 ' N ' ' A' ' 328' ' ' THR . 2.5 mm? -77.63 -87.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' A' ' 439' ' ' MET . 21.0 ttm180 -50.26 -22.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.954 ' O ' HG22 ' A' ' 447' ' ' THR . 0.0 OUTLIER -78.97 -75.54 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 1.06 HD11 ' CD2' ' A' ' 370' ' ' PHE . 9.2 mt -54.02 -34.4 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.679 HG22 ' CD2' ' A' ' 327' ' ' TYR . 52.7 t -61.64 -63.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' THR . . . . . 0.954 HG22 ' O ' ' A' ' 444' ' ' GLN . 13.3 t -45.9 -27.15 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 451' ' ' GLN . 40.9 tt0 -73.83 -57.14 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' HIS . . . . . 0.434 ' CB ' ' HZ1' ' A' ' 367' ' ' LYS . 0.0 OUTLIER -42.15 -31.85 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' VAL . . . . . 0.627 ' O ' ' N ' ' A' ' 454' ' ' GLN . 69.3 t -80.67 -44.2 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' GLN . . . . . 0.59 ' O ' HG23 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -48.52 -23.16 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.74 -67.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 457' ' ' LYS . 0.2 OUTLIER -61.14 -18.09 56.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' GLN . . . . . 0.627 ' N ' ' O ' ' A' ' 450' ' ' VAL . 2.5 tt0 -81.46 -49.36 10.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 451' ' ' GLN . 71.1 t -71.82 -4.89 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . 0.86 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.1 OUTLIER -104.65 -61.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' LYS . . . . . 0.65 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 2.1 ptpp? -41.36 -29.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 1.0 OUTLIER -94.24 -39.28 10.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -127.22 46.58 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.377 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.86 ' N ' ' O ' ' A' ' 456' ' ' ILE . 3.7 mm-40 -42.87 169.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -71.35 -28.5 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.435 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.6 OUTLIER 169.13 49.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' MET . . . . . 0.404 ' HB3' ' O ' ' A' ' 462' ' ' ASP . 4.8 ttt 62.96 128.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . 0.459 ' OG ' ' NH2' ' A' ' 357' ' ' ARG . 29.6 p -179.4 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.87 ' HA ' HD11 ' A' ' 279' ' ' ILE . 0.0 OUTLIER 174.16 168.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . 1.084 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 15.3 p80 -117.76 -170.58 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . 1.084 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.95 -45.76 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.81 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.514 ' O ' ' CG1' ' A' ' 472' ' ' ILE . 1.1 mt -43.6 -20.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' LEU . . . . . 0.718 ' CD2' ' CE1' ' A' ' 466' ' ' HIS . 12.0 mt -92.89 -55.25 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -47.07 -29.57 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -75.79 -53.16 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . 0.514 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.1 mm -45.66 -58.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 473' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 210' ' ' ASP . . . . . 0.868 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 1.154 HD22 ' CD1' ' A' ' 419' ' ' LEU . 0.2 OUTLIER -36.32 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 212' ' ' ARG . . . . . 0.45 ' N ' HD12 ' A' ' 211' ' ' LEU . 0.3 OUTLIER -83.94 -12.7 54.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . 0.868 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -72.56 -67.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 214' ' ' LEU . . . . . 1.031 HD23 ' HB2' ' A' ' 416' ' ' ALA . 12.1 tp -53.52 -49.63 67.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -43.46 -67.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . 0.795 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -47.55 -31.97 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 217' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 220' ' ' ASP . 17.2 t60 -68.82 -70.34 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.612 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.851 HD23 ' HG ' ' A' ' 214' ' ' LEU . 3.8 mm? -36.82 -50.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 219' ' ' TYR . . . . . 0.853 ' CE1' HD13 ' A' ' 223' ' ' ILE . 93.5 t80 -75.47 -29.26 59.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . 0.795 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 4.7 t0 -58.36 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 221' ' ' SER . . . . . 0.726 ' CB ' ' HB2' ' A' ' 302' ' ' SER . 49.4 m -53.34 -27.45 23.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 222' ' ' TYR . . . . . 0.68 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 22.4 t80 -68.85 -53.56 20.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 223' ' ' ILE . . . . . 0.853 HD13 ' CE1' ' A' ' 219' ' ' TYR . 1.0 OUTLIER -53.33 -11.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . 0.678 ' HD2' HG22 ' A' ' 223' ' ' ILE . 1.1 mptp? -92.27 -44.27 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . 0.704 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 31.1 t -44.04 -71.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 226' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 295' ' ' GLU . 0.0 OUTLIER -130.42 140.41 38.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 227' ' ' PRO . . . . . 1.015 ' O ' HG23 ' A' ' 229' ' ' THR . 18.3 Cg_endo -75.01 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.524 1.802 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.79 HD12 ' CD1' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -51.55 119.88 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . 1.015 HG23 ' O ' ' A' ' 227' ' ' PRO . 64.7 p -131.62 -165.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . 0.511 ' CG ' ' HB3' ' A' ' 332' ' ' SER . 3.8 tmtt? -82.49 -27.09 32.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . 0.843 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -80.18 -22.06 42.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 232' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -99.95 -35.39 9.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 233' ' ' ALA . . . . . 0.629 ' O ' ' HB2' ' A' ' 237' ' ' LEU . . . -69.14 -49.14 59.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.748 ' N ' ' HD2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -75.15 -20.76 59.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . 0.888 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -60.05 -67.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.97 HD12 ' HB3' ' A' ' 246' ' ' PRO . 0.4 OUTLIER -61.36 -38.83 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 237' ' ' LEU . . . . . 0.95 HD13 HD21 ' A' ' 340' ' ' LEU . 0.3 OUTLIER -53.73 -34.59 59.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 238' ' ' THR . . . . . 0.654 ' O ' ' C ' ' A' ' 239' ' ' GLY . 0.0 OUTLIER -158.4 -38.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . 0.888 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . 0.97 ' HB3' HD12 ' A' ' 236' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 247' ' ' PHE . . . . . 0.576 ' CB ' ' HA3' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -37.18 71.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 1.106 HG13 ' CZ ' ' A' ' 347' ' ' PHE . 21.4 t -55.52 103.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 249' ' ' ILE . . . . . 0.897 HD12 HD12 ' A' ' 341' ' ' ILE . 1.2 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 276' ' ' GLU . . . . . 0.698 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 277' ' ' VAL . . . . . 0.849 HG13 ' HB3' ' A' ' 356' ' ' LEU . 2.4 p -56.47 -15.29 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 278' ' ' ALA . . . . . 0.73 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -83.56 -68.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 0.532 HD11 ' O ' ' A' ' 464' ' ' SER . 0.4 OUTLIER -37.63 -31.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' ' 283' ' ' GLN . 11.0 tpt180 -76.97 -55.15 5.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 281' ' ' ILE . . . . . 0.627 HG21 HD21 ' A' ' 356' ' ' LEU . 0.5 OUTLIER -75.51 -43.43 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 282' ' ' PHE . . . . . 0.739 ' CE1' ' CE1' ' A' ' 360' ' ' PHE . 79.6 t80 -53.01 -46.58 68.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 283' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 280' ' ' ARG . 6.4 pt20 -66.94 -34.56 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 284' ' ' GLY . . . . . 0.459 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -81.1 -58.82 2.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 285' ' ' CYS . . . . . 0.563 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.5 OUTLIER -53.7 -15.96 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 286' ' ' GLN . . . . . 0.459 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -105.97 -24.44 12.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 287' ' ' PHE . . . . . 0.572 ' O ' HG22 ' A' ' 290' ' ' VAL . 24.5 t80 -53.65 -32.48 51.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -19.0 61.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 289' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 293' ' ' VAL . 23.9 t -86.88 -55.08 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.005 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 290' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.7 m -49.91 -29.42 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 294' ' ' GLN . 45.1 mt-10 -78.58 -59.67 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . 0.94 ' O ' HD12 ' A' ' 296' ' ' ILE . . . -34.44 -56.24 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . 0.768 ' HA ' HG21 ' A' ' 322' ' ' VAL . 54.2 t -39.91 -46.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 294' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.6 mt-30 -73.85 -27.32 61.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.237 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 295' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.4 mt-10 -75.73 -50.81 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . 0.94 HD12 ' O ' ' A' ' 292' ' ' ALA . 3.3 mp -44.84 -62.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 297' ' ' THR . . . . . 0.453 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -40.23 -61.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.31 -28.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 299' ' ' TYR . . . . . 0.783 ' O ' ' CB ' ' A' ' 302' ' ' SER . 0.8 OUTLIER -103.13 -44.28 5.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.756 ' C ' ' H ' ' A' ' 302' ' ' SER . . . -46.11 -55.48 6.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 301' ' ' LYS . . . . . 0.462 ' HA ' HG22 ' A' ' 307' ' ' VAL . 10.2 mttm -53.42 2.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 302' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 299' ' ' TYR . 16.9 t -74.18 -40.14 62.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.017 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 303' ' ' ILE . . . . . 0.995 ' CG2' HD21 ' A' ' 413' ' ' LEU . 1.3 mt -59.99 128.78 87.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 45.62 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . 0.54 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -165.45 -27.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.78 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 55.2 t80 -54.46 -60.1 3.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 307' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.1 OUTLIER -65.11 -22.53 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -75.45 -14.35 60.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.4 mt -68.84 -109.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 310' ' ' ASP . . . . . 0.816 ' CG ' HD12 ' A' ' 401' ' ' LEU . 7.6 t70 -145.01 152.21 39.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.97 -47.7 74.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 312' ' ' ASN . . . . . 0.832 ' HB2' HD11 ' A' ' 401' ' ' LEU . 62.5 m-80 -78.56 -57.89 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 313' ' ' ASP . . . . . 0.986 ' OD1' HD11 ' A' ' 406' ' ' ILE . 24.1 t0 -38.37 -53.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 314' ' ' GLN . . . . . 0.577 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 23.1 mt-30 -53.98 -49.72 68.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.72 -49.21 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.893 HG21 ' C ' ' A' ' 399' ' ' GLY . 1.2 m -43.08 -65.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 317' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -45.19 -52.34 9.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 318' ' ' LEU . . . . . 0.905 HD23 ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -56.92 -49.31 75.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -39.68 -42.92 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 320' ' ' TYR . . . . . 0.513 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 6.4 m-85 -113.89 5.97 16.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 321' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -109.35 -52.02 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 322' ' ' VAL . . . . . 0.905 ' HB ' HD23 ' A' ' 318' ' ' LEU . 1.5 p -41.2 -27.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . 0.552 ' O ' ' CD1' ' A' ' 327' ' ' TYR . 61.9 m170 -71.73 -45.76 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 324' ' ' GLU . . . . . 0.84 ' HA ' HD12 ' A' ' 442' ' ' LEU . 4.1 mt-10 -74.12 2.97 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 325' ' ' ILE . . . . . 0.973 HD12 HG22 ' A' ' 391' ' ' ILE . 0.8 OUTLIER -105.62 -49.03 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 326' ' ' ILE . . . . . 0.779 HG12 ' HB1' ' A' ' 292' ' ' ALA . 1.6 mt -72.13 -36.8 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.907 ' CD2' HG22 ' A' ' 446' ' ' VAL . 5.7 m-85 -75.83 -29.2 58.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' THR . . . . . 0.925 ' HA ' HD21 ' A' ' 442' ' ' LEU . 0.7 OUTLIER -62.29 -58.87 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.612 ' N ' ' CG2' ' A' ' 328' ' ' THR . 25.7 ptm -79.92 -19.33 48.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.598 ' HB2' ' HA ' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -43.92 -46.81 8.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 331' ' ' ALA . . . . . 1.25 ' HB2' ' CE2' ' A' ' 370' ' ' PHE . . . -48.38 -48.96 36.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . 0.737 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 0.9 OUTLIER -59.08 -14.66 10.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.79 ' CD1' HD12 ' A' ' 228' ' ' LEU . 2.3 mm? -100.11 18.35 18.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' MET . . . . . 0.716 ' HB2' ' O ' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -93.41 -172.88 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' ASN . . . . . 0.773 ' O ' ' CE1' ' A' ' 368' ' ' PHE . 8.8 t-20 -158.76 169.55 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' LYS . . . . . 0.571 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -55.81 -53.74 53.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 1.6 m-20 -130.68 37.7 3.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . 0.765 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -171.25 -161.69 22.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . 0.639 ' O ' HG23 ' A' ' 341' ' ' ILE . 25.8 m -157.0 125.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.779 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 0.95 HD21 HD13 ' A' ' 237' ' ' LEU . 2.2 mm? -36.36 157.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' ILE . . . . . 0.897 HD12 HD12 ' A' ' 249' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . 0.576 ' HA3' ' CB ' ' A' ' 247' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 1.106 ' CZ ' HG13 ' A' ' 248' ' ' VAL . 0.1 OUTLIER -169.61 134.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 0.755 . . . . 0.0 110.968 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 0.811 ' HG2' HD23 ' A' ' 353' ' ' LEU . 30.1 ttm -90.85 121.19 32.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' THR . . . . . 0.765 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.7 p -64.84 146.37 54.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . 0.703 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 10.6 ttm180 -53.33 -51.67 61.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 351' ' ' GLU . . . . . 0.559 ' O ' ' CB ' ' A' ' 355' ' ' SER . 1.8 pt-20 -53.25 -14.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 352' ' ' PHE . . . . . 0.493 ' O ' ' HB3' ' A' ' 355' ' ' SER . 7.0 t80 -91.48 -66.96 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 353' ' ' LEU . . . . . 0.811 HD23 ' HG2' ' A' ' 348' ' ' MET . 0.3 OUTLIER -49.9 -54.25 20.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 354' ' ' LYS . . . . . 0.726 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.3 OUTLIER -61.04 -38.9 87.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 0.3 OUTLIER -50.24 75.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 356' ' ' LEU . . . . . 0.849 ' HB3' HG13 ' A' ' 277' ' ' VAL . 0.3 OUTLIER 176.14 -169.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 357' ' ' ARG . . . . . 0.698 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.6 OUTLIER -18.74 124.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 358' ' ' LYS . . . . . 0.799 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.42 -58.22 0.82 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 359' ' ' PRO . . . . . 0.799 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.4 Cg_endo -75.0 -67.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 360' ' ' PHE . . . . . 0.739 ' CE1' ' CE1' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -49.11 -9.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 361' ' ' GLY . . . . . 0.676 ' CA ' HD12 ' A' ' 356' ' ' LEU . . . -129.13 53.18 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 362' ' ' ASP . . . . . 0.512 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 14.3 t70 172.9 45.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 363' ' ' PHE . . . . . 1.141 ' CD2' HD13 ' A' ' 452' ' ' LEU . 0.9 OUTLIER -138.88 16.99 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 364' ' ' MET . . . . . 0.839 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 2.4 mpp? -117.47 9.38 13.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 365' ' ' GLU . . . . . 0.92 ' N ' ' CD ' ' A' ' 366' ' ' PRO . 5.9 tp10 -78.82 -18.41 0.27 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.92 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -75.03 -43.19 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.554 1.818 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 367' ' ' LYS . . . . . 0.473 ' O ' ' HE2' ' A' ' 334' ' ' MET . 0.7 OUTLIER -76.94 -37.52 55.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 368' ' ' PHE . . . . . 0.773 ' CE1' ' O ' ' A' ' 335' ' ' ASN . 1.7 t80 -59.17 -58.26 9.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 373' ' ' LYS . 1.0 OUTLIER -59.57 -57.86 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 370' ' ' PHE . . . . . 1.25 ' CE2' ' HB2' ' A' ' 331' ' ' ALA . 0.1 OUTLIER -36.8 -47.75 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 371' ' ' ALA . . . . . 0.854 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -66.26 -46.72 76.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 372' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 369' ' ' GLU . 54.3 t -56.47 -18.09 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 373' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 369' ' ' GLU . 0.0 OUTLIER -104.78 -23.38 13.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 374' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' A' ' 370' ' ' PHE . 0.8 OUTLIER -91.23 -39.69 11.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . 0.482 ' CG ' ' O ' ' A' ' 371' ' ' ALA . 15.3 m120 -52.12 -15.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -87.79 32.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 374' ' ' PHE . 0.7 OUTLIER -175.09 4.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 378' ' ' GLU . . . . . 0.596 ' OE2' ' CB ' ' A' ' 332' ' ' SER . 2.1 mt-10 -69.65 128.15 35.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.625 HD23 ' CD2' ' A' ' 425' ' ' HIS . 0.3 OUTLIER -82.91 -139.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 380' ' ' ASP . . . . . 0.584 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 33.8 p30 -106.51 144.34 33.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . 0.647 ' HA ' HD12 ' A' ' 384' ' ' LEU . 12.4 m-20 -35.99 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . 0.565 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 4.9 m -58.27 -61.43 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . 0.496 ' OD2' ' HB3' ' A' ' 379' ' ' LEU . 17.6 m-20 -59.2 -28.5 66.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 381' ' ' ASP . 3.8 mt -75.37 -57.63 3.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . 0.606 ' HB2' ' CD2' ' A' ' 222' ' ' TYR . . . -35.7 -47.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.529 HD13 ' HB1' ' A' ' 416' ' ' ALA . 8.9 mt -61.26 -60.2 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 387' ' ' PHE . . . . . 0.649 ' CD2' HD11 ' A' ' 391' ' ' ILE . 3.4 t80 -33.75 -44.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 388' ' ' ILE . . . . . 0.791 ' CG1' HG23 ' A' ' 325' ' ' ILE . 0.4 OUTLIER -48.58 -64.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . 0.956 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -48.92 -45.29 41.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.832 HG22 HD12 ' A' ' 414' ' ' LEU . 1.0 OUTLIER -58.57 -25.6 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.973 HG22 HD12 ' A' ' 325' ' ' ILE . 27.7 mt -87.62 -18.51 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 392' ' ' ILE . . . . . 0.763 HG22 HD23 ' A' ' 393' ' ' LEU . 60.5 mt -68.48 -76.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.937 HD11 HG22 ' A' ' 409' ' ' ILE . 0.1 OUTLIER -62.95 92.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 394' ' ' SER . . . . . 0.624 ' O ' ' N ' ' A' ' 396' ' ' ASP . 5.0 m -126.46 87.77 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 395' ' ' GLY . . . . . 0.616 ' HA2' HG22 ' A' ' 403' ' ' VAL . . . -61.44 60.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 396' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 394' ' ' SER . 10.6 t70 -131.86 -23.08 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 397' ' ' ARG . . . . . 0.557 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -64.67 127.32 92.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 7.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . 0.893 ' C ' HG21 ' A' ' 316' ' ' THR . . . -125.94 33.39 3.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.557 ' HG ' ' CB ' ' A' ' 397' ' ' ARG . 17.3 mt -95.22 156.65 16.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.832 HD11 ' HB2' ' A' ' 312' ' ' ASN . 20.3 mt -109.82 -58.25 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . 0.744 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 1.5 m120 -108.32 83.01 1.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 403' ' ' VAL . . . . . 0.854 ' HA ' HD12 ' A' ' 406' ' ' ILE . 1.0 OUTLIER -79.46 -15.91 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.732 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -68.72 -50.27 25.14 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . 0.744 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.03 -26.37 10.93 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . 0.986 HD11 ' OD1' ' A' ' 313' ' ' ASP . 61.5 mt -59.93 -83.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' GLU . . . . . 0.425 ' N ' HG22 ' A' ' 406' ' ' ILE . 51.2 mt-10 -51.09 -23.05 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . 0.732 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 10.7 m-20 -73.49 -57.42 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' ILE . . . . . 0.937 HG22 HD11 ' A' ' 393' ' ' LEU . 33.2 mm -56.97 -18.25 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . 0.797 ' N ' HD12 ' A' ' 393' ' ' LEU . 0.0 OUTLIER -76.78 -41.1 45.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -45.91 -24.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.7 OUTLIER -85.96 -51.39 6.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.995 HD21 ' CG2' ' A' ' 303' ' ' ILE . 2.4 mt -55.75 -40.19 72.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.832 HD12 HG22 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -61.54 -46.55 89.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.588 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 40.5 mt-30 -51.21 -57.7 8.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 1.031 ' HB2' HD23 ' A' ' 214' ' ' LEU . . . -52.69 -45.87 67.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . 1.002 ' C ' HD22 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -47.23 -81.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' GLU . . . . . 0.925 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.5 OUTLIER -55.34 -19.27 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 1.154 ' CD1' HD22 ' A' ' 211' ' ' LEU . 0.3 OUTLIER -69.07 -78.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' GLN . . . . . 0.707 ' N ' HD23 ' A' ' 419' ' ' LEU . 0.0 OUTLIER -59.28 -10.9 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.709 ' C ' HD23 ' A' ' 421' ' ' LEU . 1.4 tt -89.94 -49.48 6.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 12.0 ttpp -71.53 -3.37 20.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.531 ' O ' ' HD3' ' A' ' 426' ' ' PRO . 10.9 mt -103.87 -42.22 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.665 HD22 ' NE2' ' A' ' 420' ' ' GLN . 31.4 m-20 -77.22 -9.05 58.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.625 ' CD2' HD23 ' A' ' 379' ' ' LEU . 0.1 OUTLIER -159.73 61.59 1.74 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.614 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.544 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.2 Cg_endo -75.09 106.22 2.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.487 1.783 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 426' ' ' PRO . 0.0 OUTLIER 168.46 66.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' SER . . . . . 0.4 ' OG ' ' HB2' ' A' ' 431' ' ' LEU . 23.2 t -179.05 -173.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 1.6 m -108.65 -94.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' GLN . . . . . 0.636 ' CB ' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -97.72 29.36 3.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 431' ' ' LEU . 0.3 OUTLIER -40.21 -44.71 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' PHE . . . . . 0.659 ' C ' ' CD1' ' A' ' 432' ' ' PHE . 0.1 OUTLIER -70.62 -35.23 72.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.016 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' ALA . . . . . 0.636 ' HB3' ' CB ' ' A' ' 430' ' ' GLN . . . -66.97 -21.81 65.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 431' ' ' LEU . 0.0 OUTLIER -100.41 -12.32 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' LEU . . . . . 0.792 ' O ' HD12 ' A' ' 435' ' ' LEU . 0.8 OUTLIER -78.06 -37.71 46.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.661 HD12 ' HG2' ' A' ' 437' ' ' GLN . 1.6 pp -71.92 -46.04 59.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' GLN . . . . . 0.661 ' HG2' HD12 ' A' ' 436' ' ' LEU . 1.6 mt-30 -46.94 -14.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.594 ' HD2' ' CZ ' ' A' ' 374' ' ' PHE . 16.9 mmtp -51.27 -25.24 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' MET . . . . . 0.636 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -23.53 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.99 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.616 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 71.8 p -32.62 -90.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.78 ' OD1' HD11 ' A' ' 445' ' ' ILE . 1.1 m-20 -42.59 -23.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' LEU . . . . . 0.925 HD21 ' HA ' ' A' ' 328' ' ' THR . 0.7 OUTLIER -77.04 -79.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 439' ' ' MET . 3.4 ttt180 -58.77 -24.74 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.824 ' O ' HG22 ' A' ' 447' ' ' THR . 0.0 OUTLIER -73.95 -71.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.807 HG23 ' HB2' ' A' ' 366' ' ' PRO . 28.7 mt -51.94 -29.61 11.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.907 HG22 ' CD2' ' A' ' 327' ' ' TYR . 3.3 t -61.12 -68.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' THR . . . . . 0.824 HG22 ' O ' ' A' ' 444' ' ' GLN . 6.1 t -44.11 -26.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 451' ' ' GLN . 4.1 tt0 -76.11 -56.88 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -46.14 -25.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' VAL . . . . . 0.692 ' O ' ' N ' ' A' ' 454' ' ' GLN . 24.1 t -90.01 -35.84 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 455' ' ' VAL . 5.4 mt-30 -51.59 -26.45 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 1.141 HD13 ' CD2' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -95.03 -50.56 5.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.882 HD12 ' O ' ' A' ' 453' ' ' LEU . 0.2 OUTLIER -69.56 -12.65 61.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' GLN . . . . . 0.703 ' O ' ' CG ' ' A' ' 458' ' ' LYS . 32.2 tt0 -93.55 -47.67 6.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 451' ' ' GLN . 93.8 t -69.32 -12.35 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . 0.856 HD12 ' N ' ' A' ' 457' ' ' LYS . 2.4 pp -101.27 -52.34 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' LYS . . . . . 0.856 ' N ' HD12 ' A' ' 456' ' ' ILE . 0.0 OUTLIER -57.89 -13.92 5.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' LYS . . . . . 0.703 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -108.02 -37.26 6.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 459' ' ' THR . 6.5 m -142.86 55.65 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.643 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.5 mm-40 -48.04 172.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -63.95 -26.71 68.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' A' ' 461' ' ' THR . 3.0 t0 169.73 49.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' MET . . . . . 0.445 ' HG2' ' N ' ' A' ' 464' ' ' SER . 0.6 OUTLIER 60.9 139.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . 0.532 ' O ' HD11 ' A' ' 279' ' ' ILE . 3.1 t 179.8 54.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.779 HD21 HD13 ' A' ' 469' ' ' LEU . 0.1 OUTLIER -175.17 -128.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . 0.972 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 10.6 p80 -167.51 -176.64 0.48 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . 0.972 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.2 Cg_endo -74.99 -40.03 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.503 ' O ' ' CG1' ' A' ' 472' ' ' ILE . 1.5 mt -45.09 -20.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' LEU . . . . . 0.779 HD13 HD21 ' A' ' 465' ' ' LEU . 0.0 OUTLIER -90.44 -55.98 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -48.52 -28.64 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -75.51 -54.16 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.0 OUTLIER -41.81 -57.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' TYR . . . . . 0.594 ' CE1' ' HE2' ' A' ' 457' ' ' LYS . 7.5 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 210' ' ' ASP . . . . . 0.692 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 3.3 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 1.051 ' HA ' HD21 ' A' ' 419' ' ' LEU . 0.1 OUTLIER -59.51 -55.99 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 212' ' ' ARG . . . . . 0.471 ' O ' ' HB3' ' A' ' 216' ' ' LYS . 17.3 mmt-85 -95.63 -19.38 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 213' ' ' ALA . . . . . 0.692 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -75.3 -65.59 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 214' ' ' LEU . . . . . 0.673 HD23 ' CB ' ' A' ' 416' ' ' ALA . 29.7 tp -61.16 -47.74 84.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 215' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 211' ' ' LEU . . . -44.01 -67.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 216' ' ' LYS . . . . . 0.662 ' O ' ' CB ' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -38.45 -36.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 217' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 14.9 t60 -80.52 -70.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.593 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 218' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 386' ' ' ILE . 0.3 OUTLIER -42.86 -52.33 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 219' ' ' TYR . . . . . 0.546 ' CD2' HG12 ' A' ' 223' ' ' ILE . 5.0 t80 -69.46 -28.77 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.956 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 220' ' ' ASP . . . . . 0.662 ' CB ' ' O ' ' A' ' 216' ' ' LYS . 0.4 OUTLIER -57.47 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 221' ' ' SER . . . . . 0.891 ' OG ' ' HD1' ' A' ' 299' ' ' TYR . 3.6 p -52.75 -27.73 19.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 222' ' ' TYR . . . . . 0.702 ' HB2' ' CE1' ' A' ' 299' ' ' TYR . 30.3 t80 -69.53 -56.19 8.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 223' ' ' ILE . . . . . 0.546 HG12 ' CD2' ' A' ' 219' ' ' TYR . 5.8 mm -56.11 -8.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 220' ' ' ASP . 0.6 OUTLIER -96.9 -41.11 8.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 225' ' ' SER . . . . . 0.588 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 43.0 t -63.13 -89.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 226' ' ' PHE . . . . . 0.498 ' HD2' ' CE1' ' A' ' 222' ' ' TYR . 0.6 OUTLIER -76.08 114.48 37.83 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.984 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -45.5 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.7 HD13 ' HB2' ' A' ' 232' ' ' LYS . 0.2 OUTLIER -93.17 88.44 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . 0.42 ' HB ' ' CG ' ' A' ' 381' ' ' ASP . 25.2 p -81.85 -165.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . 0.646 ' HB3' HD12 ' A' ' 384' ' ' LEU . 0.0 OUTLIER -74.6 -25.53 59.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 231' ' ' ALA . . . . . 0.62 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -73.68 -41.51 62.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 232' ' ' LYS . . . . . 0.7 ' HB2' HD13 ' A' ' 228' ' ' LEU . 1.3 mttm -73.45 -41.25 63.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 233' ' ' ALA . . . . . 0.585 ' HA ' ' HG ' ' A' ' 340' ' ' LEU . . . -66.35 -46.57 76.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 234' ' ' ARG . . . . . 0.941 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -76.82 -1.17 26.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . 1.113 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -80.94 -53.83 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 232' ' ' LYS . 0.0 OUTLIER -74.9 -35.78 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 237' ' ' LEU . . . . . 1.031 HD13 HD21 ' A' ' 340' ' ' LEU . 0.3 OUTLIER -60.13 -20.42 58.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 238' ' ' THR . . . . . 0.539 ' HB ' ' O ' ' A' ' 237' ' ' LEU . 0.9 OUTLIER 171.78 30.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.356 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 239' ' ' GLY . . . . . 1.113 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . 0.634 ' HG2' ' CD2' ' A' ' 347' ' ' PHE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 247' ' ' PHE . . . . . 0.709 ' O ' ' CD1' ' A' ' 347' ' ' PHE . 0.7 OUTLIER -107.56 -133.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 248' ' ' VAL . . . . . 1.039 HG22 ' H ' ' A' ' 347' ' ' PHE . 0.7 OUTLIER 51.43 -159.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 249' ' ' ILE . . . . . 1.208 ' O ' ' HA ' ' A' ' 348' ' ' MET . 1.1 pt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 276' ' ' GLU . . . . . 0.709 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 277' ' ' VAL . . . . . 0.636 HG22 HD22 ' A' ' 356' ' ' LEU . 3.1 p -41.27 -27.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 278' ' ' ALA . . . . . 0.885 ' HB2' ' HB2' ' A' ' 357' ' ' ARG . . . -69.74 -73.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 0.582 HD12 ' OE1' ' A' ' 276' ' ' GLU . 1.2 mp -36.04 -31.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 280' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -76.19 -58.98 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 281' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 285' ' ' CYS . 1.1 mp -64.36 -47.43 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 282' ' ' PHE . . . . . 0.684 ' HB2' ' CD2' ' A' ' 360' ' ' PHE . 5.4 t80 -52.45 -47.08 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 283' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 1.5 tt0 -60.36 -35.79 76.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 284' ' ' GLY . . . . . 0.503 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -84.75 -54.53 2.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 285' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.7 OUTLIER -51.0 -16.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 286' ' ' GLN . . . . . 0.503 ' N ' ' C ' ' A' ' 284' ' ' GLY . 25.2 tt0 -110.29 -26.17 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 287' ' ' PHE . . . . . 0.619 ' CZ ' ' CD ' ' A' ' 291' ' ' GLU . 20.8 t80 -52.03 -30.48 25.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -20.19 63.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 35.2 t -88.47 -54.02 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 290' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.3 m -51.57 -32.36 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . 0.619 ' CD ' ' CZ ' ' A' ' 287' ' ' PHE . 51.6 mt-10 -77.24 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . 0.923 ' O ' HD12 ' A' ' 296' ' ' ILE . . . -33.59 -59.28 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . 0.696 ' HA ' HG21 ' A' ' 322' ' ' VAL . 8.9 t -38.87 -46.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 294' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.5 mt-30 -73.25 -26.22 61.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 295' ' ' GLU . . . . . 0.676 ' N ' ' O ' ' A' ' 292' ' ' ALA . 15.2 mm-40 -77.13 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 296' ' ' ILE . . . . . 0.923 HD12 ' O ' ' A' ' 292' ' ' ALA . 4.4 mp -39.63 -63.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 297' ' ' THR . . . . . 0.568 HG23 ' CD ' ' A' ' 301' ' ' LYS . 0.9 OUTLIER -42.06 -58.92 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -27.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 299' ' ' TYR . . . . . 0.891 ' HD1' ' OG ' ' A' ' 221' ' ' SER . 0.2 OUTLIER -103.03 -57.57 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.79 ' C ' ' H ' ' A' ' 302' ' ' SER . . . -44.06 -44.46 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 301' ' ' LYS . . . . . 0.568 ' CD ' HG23 ' A' ' 297' ' ' THR . 14.5 mttm -46.81 -2.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 302' ' ' SER . . . . . 0.79 ' H ' ' C ' ' A' ' 300' ' ' ALA . 1.2 p -74.08 -41.42 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 303' ' ' ILE . . . . . 0.702 HG21 ' CG2' ' A' ' 409' ' ' ILE . 1.1 mt -62.54 121.52 67.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.31 3.59 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . 0.616 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -174.41 -27.43 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 306' ' ' PHE . . . . . 0.836 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 45.9 t80 -54.44 -63.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 307' ' ' VAL . . . . . 0.481 ' O ' ' NE2' ' A' ' 314' ' ' GLN . 0.1 OUTLIER -69.75 -20.17 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -74.99 -12.61 60.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.943 HD13 HG23 ' A' ' 406' ' ' ILE . 12.1 mt -60.87 -108.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 310' ' ' ASP . . . . . 0.746 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.3 t70 -140.88 151.83 44.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . 0.53 ' H ' HD23 ' A' ' 311' ' ' LEU . 0.2 OUTLIER -55.35 -48.08 74.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 312' ' ' ASN . . . . . 0.775 ' CB ' HD11 ' A' ' 401' ' ' LEU . 3.4 m-80 -79.62 -52.11 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 313' ' ' ASP . . . . . 0.859 ' N ' HD12 ' A' ' 401' ' ' LEU . 40.2 t0 -44.09 -39.48 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 314' ' ' GLN . . . . . 0.909 ' O ' HD12 ' A' ' 318' ' ' LEU . 27.3 mt-30 -73.06 -32.49 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 315' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 312' ' ' ASN . 5.6 t -83.2 -34.78 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 316' ' ' THR . . . . . 0.766 HG21 ' HA ' ' A' ' 400' ' ' LEU . 0.9 OUTLIER -73.12 -44.31 60.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 317' ' ' LEU . . . . . 1.201 HD23 ' N ' ' A' ' 318' ' ' LEU . 0.2 OUTLIER -66.19 -28.17 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 318' ' ' LEU . . . . . 1.201 ' N ' HD23 ' A' ' 317' ' ' LEU . 0.2 OUTLIER -76.61 -48.26 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -26.69 37.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 320' ' ' TYR . . . . . 0.48 ' O ' ' NH2' ' A' ' 443' ' ' ARG . 13.1 m-85 -116.4 -0.46 12.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 321' ' ' GLY . . . . . 0.814 ' O ' HD12 ' A' ' 325' ' ' ILE . . . -115.04 -56.49 0.36 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 322' ' ' VAL . . . . . 0.874 ' HB ' HD23 ' A' ' 318' ' ' LEU . 1.8 p -42.68 -24.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 323' ' ' HIS . . . . . 0.59 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 19.8 m170 -71.16 -51.47 24.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 324' ' ' GLU . . . . . 0.683 ' HA ' HD12 ' A' ' 442' ' ' LEU . 22.0 mt-10 -73.31 7.39 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 325' ' ' ILE . . . . . 0.818 HD13 ' CD1' ' A' ' 392' ' ' ILE . 1.2 mp -108.64 -48.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 326' ' ' ILE . . . . . 0.892 HG12 ' HB1' ' A' ' 292' ' ' ALA . 3.2 mt -74.79 -38.8 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.975 ' CD2' HG22 ' A' ' 446' ' ' VAL . 22.4 m-85 -76.13 -17.47 59.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' THR . . . . . 0.808 ' HA ' HD21 ' A' ' 442' ' ' LEU . 0.7 OUTLIER -76.37 -58.72 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.444 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.734 ' HE3' HD21 ' A' ' 333' ' ' LEU . 9.3 ptm -81.04 -16.46 53.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.646 ' HB2' ' O ' ' A' ' 326' ' ' ILE . 1.7 mt -47.97 -56.13 8.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 331' ' ' ALA . . . . . 1.018 ' HA ' ' HB2' ' A' ' 371' ' ' ALA . . . -37.24 -50.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . 0.941 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 34.2 m -59.53 -46.24 89.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.734 HD21 ' HE3' ' A' ' 329' ' ' MET . 0.0 OUTLIER -76.11 10.94 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' MET . . . . . 0.73 ' HE2' ' C ' ' A' ' 367' ' ' LYS . 0.0 OUTLIER -108.21 -176.1 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' ASN . . . . . 0.591 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.9 t-20 -148.18 168.17 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' LYS . . . . . 0.591 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.2 OUTLIER -46.73 -57.46 4.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' ASP . . . . . 0.63 ' O ' ' HA ' ' A' ' 349' ' ' THR . 1.3 m-20 -133.65 41.93 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . 0.712 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -167.64 179.97 40.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . 1.098 ' O ' HG23 ' A' ' 341' ' ' ILE . 0.5 OUTLIER -137.16 128.99 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 1.031 HD21 HD13 ' A' ' 237' ' ' LEU . 2.7 mm? -49.89 117.37 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' ILE . . . . . 1.098 HG23 ' O ' ' A' ' 339' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 346' ' ' GLY . . . . . 0.927 ' HA3' HG13 ' A' ' 248' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' PHE . . . . . 1.039 ' H ' HG22 ' A' ' 248' ' ' VAL . 0.0 OUTLIER -169.23 176.32 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . 1.208 ' HA ' ' O ' ' A' ' 249' ' ' ILE . 23.7 ttm -96.25 87.5 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' THR . . . . . 0.924 HG23 ' HA ' ' A' ' 249' ' ' ILE . 1.4 p -56.66 142.3 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 350' ' ' ARG . . . . . 0.846 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 5.9 ttp85 -58.6 -53.37 59.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 351' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 355' ' ' SER . 3.9 pt-20 -41.74 -23.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 352' ' ' PHE . . . . . 0.705 ' CE1' ' CD1' ' A' ' 249' ' ' ILE . 2.5 t80 -84.46 -69.14 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 353' ' ' LEU . . . . . 0.942 HD13 ' HB3' ' A' ' 364' ' ' MET . 0.3 OUTLIER -43.38 -54.72 4.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 354' ' ' LYS . . . . . 0.579 ' O ' ' N ' ' A' ' 356' ' ' LEU . 1.0 OUTLIER -58.79 -46.55 87.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 355' ' ' SER . . . . . 0.602 ' O ' HD23 ' A' ' 356' ' ' LEU . 1.0 OUTLIER -52.62 82.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 356' ' ' LEU . . . . . 0.636 HD22 HG22 ' A' ' 277' ' ' VAL . 0.3 OUTLIER 165.18 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 357' ' ' ARG . . . . . 0.885 ' HB2' ' HB2' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -17.02 123.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 358' ' ' LYS . . . . . 0.771 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.1 OUTLIER -40.44 -49.76 6.79 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 359' ' ' PRO . . . . . 0.771 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.5 Cg_endo -74.9 -76.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 360' ' ' PHE . . . . . 0.81 ' HD2' ' HB1' ' A' ' 278' ' ' ALA . 2.2 m-30 -48.46 -12.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 361' ' ' GLY . . . . . 0.622 ' N ' ' O ' ' A' ' 357' ' ' ARG . . . -104.95 38.92 3.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 362' ' ' ASP . . . . . 0.409 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 37.8 p30 -177.56 42.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 363' ' ' PHE . . . . . 0.931 ' HB2' HD13 ' A' ' 452' ' ' LEU . 0.0 OUTLIER -124.78 0.64 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 364' ' ' MET . . . . . 0.942 ' HB3' HD13 ' A' ' 353' ' ' LEU . 2.1 tpt -110.21 -3.42 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 365' ' ' GLU . . . . . 0.846 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 2.6 tp10 -67.66 -31.54 3.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 366' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.92 -29.23 8.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.8 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 367' ' ' LYS . . . . . 0.73 ' C ' ' HE2' ' A' ' 334' ' ' MET . 0.0 OUTLIER -68.72 -57.15 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 368' ' ' PHE . . . . . 0.509 ' CZ ' HD21 ' A' ' 353' ' ' LEU . 6.0 m-30 -59.15 -42.45 90.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -53.52 -47.64 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 370' ' ' PHE . . . . . 0.805 ' CE2' ' HB2' ' A' ' 331' ' ' ALA . 27.9 t80 -54.81 -46.45 74.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 371' ' ' ALA . . . . . 1.018 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -64.81 -25.76 68.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -21.44 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 373' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 370' ' ' PHE . 0.0 OUTLIER -105.43 -22.43 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 374' ' ' PHE . . . . . 0.772 ' CD1' ' CE1' ' A' ' 370' ' ' PHE . 0.2 OUTLIER -89.91 -38.52 13.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 375' ' ' ASN . . . . . 0.498 ' O ' ' HG2' ' A' ' 378' ' ' GLU . 2.4 m120 -59.22 -6.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' A' ' 374' ' ' PHE . . . -84.5 24.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.662 HD12 HD21 ' A' ' 379' ' ' LEU . 0.7 OUTLIER -156.09 10.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 378' ' ' GLU . . . . . 0.618 ' C ' ' O ' ' A' ' 377' ' ' LEU . 0.0 OUTLIER -17.17 93.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 379' ' ' LEU . . . . . 0.737 ' HB2' HD21 ' A' ' 384' ' ' LEU . 0.1 OUTLIER -82.46 -139.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 380' ' ' ASP . . . . . 0.622 ' OD2' ' CD2' ' A' ' 425' ' ' HIS . 1.2 p-10 -136.96 133.42 35.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 381' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 231' ' ' ALA . 22.0 m-20 -39.16 -26.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 380' ' ' ASP . 0.0 OUTLIER -57.94 -55.55 33.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 383' ' ' ASP . . . . . 0.58 ' OD2' ' NE2' ' A' ' 425' ' ' HIS . 0.5 OUTLIER -70.73 -30.7 67.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.737 HD21 ' HB2' ' A' ' 379' ' ' LEU . 3.4 mt -70.32 -57.81 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 385' ' ' ALA . . . . . 0.577 ' HB2' ' CE2' ' A' ' 222' ' ' TYR . . . -39.06 -63.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.76 ' HA ' HD12 ' A' ' 218' ' ' LEU . 1.1 mt -52.25 -50.4 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 387' ' ' PHE . . . . . 0.581 ' CZ ' HD22 ' A' ' 435' ' ' LEU . 0.4 OUTLIER -36.2 -54.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 388' ' ' ILE . . . . . 0.709 ' CG1' HG23 ' A' ' 325' ' ' ILE . 1.7 mp -41.66 -50.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . 0.661 ' HA ' HG22 ' A' ' 392' ' ' ILE . . . -60.35 -41.22 93.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.739 HG22 ' HB2' ' A' ' 413' ' ' LEU . 5.6 t -67.99 -6.85 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.813 ' C ' HD11 ' A' ' 325' ' ' ILE . 7.7 mt -124.35 -1.49 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 392' ' ' ILE . . . . . 0.818 ' CD1' HD13 ' A' ' 325' ' ' ILE . 2.5 tp -100.65 -41.0 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 1.076 HD23 ' CD1' ' A' ' 413' ' ' LEU . 1.0 OUTLIER -62.7 46.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 394' ' ' SER . . . . . 0.94 ' OG ' HG21 ' A' ' 406' ' ' ILE . 51.0 m 55.09 -98.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 395' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 394' ' ' SER . . . 32.76 39.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 396' ' ' ASP . . . . . 0.548 ' OD1' ' HB2' ' A' ' 397' ' ' ARG . 0.4 OUTLIER -104.02 -72.09 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 0.778 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 397' ' ' ARG . . . . . 0.678 ' HB3' ' HD2' ' A' ' 398' ' ' PRO . 0.0 OUTLIER -147.64 176.68 2.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . 0.678 ' HD2' ' HB3' ' A' ' 397' ' ' ARG . 18.4 Cg_endo -74.98 44.45 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . 0.636 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . -128.18 45.88 1.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.767 HD13 ' HB3' ' A' ' 394' ' ' SER . 0.7 OUTLIER -128.29 -146.5 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 0.787 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 401' ' ' LEU . . . . . 0.859 HD12 ' N ' ' A' ' 313' ' ' ASP . 15.1 mt -135.41 -72.85 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . 1.066 ' O ' ' CG1' ' A' ' 406' ' ' ILE . 2.3 m120 -103.78 78.42 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 403' ' ' VAL . . . . . 0.711 ' HA ' ' CD1' ' A' ' 406' ' ' ILE . 0.8 OUTLIER -73.69 -8.36 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.753 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.5 OUTLIER -74.58 -50.43 4.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . 0.952 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -74.98 -15.23 20.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . 1.066 ' CG1' ' O ' ' A' ' 402' ' ' ASN . 0.0 OUTLIER -91.72 -79.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 403' ' ' VAL . 26.3 mt-10 -41.22 -26.92 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . 0.753 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 24.6 m-20 -73.44 -55.9 5.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' ILE . . . . . 0.702 ' CG2' HG21 ' A' ' 303' ' ' ILE . 23.7 mm -55.11 -21.62 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . 0.824 ' HG2' HD12 ' A' ' 413' ' ' LEU . 0.1 OUTLIER -73.19 -44.32 59.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -42.41 -26.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . 0.441 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.2 OUTLIER -84.69 -56.65 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 1.076 ' CD1' HD23 ' A' ' 393' ' ' LEU . 0.2 OUTLIER -51.16 -40.44 58.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.673 HD12 HG11 ' A' ' 390' ' ' VAL . 5.4 tp -59.3 -51.1 71.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.569 ' O ' ' HB3' ' A' ' 419' ' ' LEU . 38.6 mt-30 -50.55 -58.2 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.792 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -56.78 -44.65 82.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' LEU . . . . . 0.999 ' C ' HD22 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -46.91 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' GLU . . . . . 0.935 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.3 OUTLIER -52.17 -20.11 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 1.051 HD21 ' HA ' ' A' ' 211' ' ' LEU . 0.0 OUTLIER -68.01 -86.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' GLN . . . . . 0.731 ' O ' ' HB3' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -56.53 -8.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.775 HD22 ' C ' ' A' ' 421' ' ' LEU . 0.0 OUTLIER -87.21 -55.7 3.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 426' ' ' PRO . 0.0 OUTLIER -94.81 22.37 6.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.735 HD12 ' HG ' ' A' ' 419' ' ' LEU . 93.7 mt -129.48 -38.51 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.731 ' HB3' ' O ' ' A' ' 420' ' ' GLN . 0.0 OUTLIER -96.08 -10.6 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.761 ' CG ' ' O ' ' A' ' 425' ' ' HIS . 0.7 OUTLIER -178.95 65.96 0.17 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.589 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.586 ' HA ' ' HA ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.96 -163.57 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.42 -50.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.33 -153.55 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 5.7 m -94.96 -52.44 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' GLN . . . . . 0.556 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -110.08 24.79 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . 0.476 HD22 ' HD3' ' A' ' 434' ' ' LYS . 1.2 tm? -37.99 -29.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' PHE . . . . . 0.622 ' CG ' ' N ' ' A' ' 433' ' ' ALA . 0.1 OUTLIER -83.7 -48.63 9.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' ALA . . . . . 0.622 ' N ' ' CG ' ' A' ' 432' ' ' PHE . . . -46.59 -23.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . 0.555 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 12.3 ptmt -96.83 -47.81 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' LEU . . . . . 0.581 HD22 ' CZ ' ' A' ' 387' ' ' PHE . 0.3 OUTLIER -39.12 -38.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 432' ' ' PHE . 2.7 mt -76.79 -47.14 22.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 2.7 mm100 -47.53 -11.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' LYS . . . . . 0.562 ' HG2' ' CZ ' ' A' ' 374' ' ' PHE . 0.0 OUTLIER -51.26 -27.63 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' MET . . . . . 0.558 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -25.29 -44.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.578 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.7 OUTLIER -33.79 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.563 ' O ' ' CG1' ' A' ' 445' ' ' ILE . 0.6 OUTLIER -63.85 -17.03 62.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' LEU . . . . . 0.808 HD21 ' HA ' ' A' ' 328' ' ' THR . 0.1 OUTLIER -74.34 -78.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 439' ' ' MET . 0.2 OUTLIER -53.36 -19.92 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' GLN . . . . . 0.788 ' O ' HG22 ' A' ' 447' ' ' THR . 7.9 mm100 -67.39 -64.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.777 HD11 ' HB2' ' A' ' 370' ' ' PHE . 0.9 OUTLIER -44.54 -43.8 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.975 HG22 ' CD2' ' A' ' 327' ' ' TYR . 8.7 t -53.01 -72.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' THR . . . . . 0.788 HG22 ' O ' ' A' ' 444' ' ' GLN . 8.4 t -43.78 -25.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 445' ' ' ILE . 4.2 mt-10 -80.59 -56.47 4.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' HIS . . . . . 0.639 ' CD2' HG23 ' A' ' 450' ' ' VAL . 0.0 OUTLIER -42.96 -28.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' VAL . . . . . 0.78 HG12 ' HB2' ' A' ' 454' ' ' GLN . 59.4 t -86.81 -48.9 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' GLN . . . . . 0.799 ' O ' HG23 ' A' ' 455' ' ' VAL . 39.8 mt-30 -40.57 -28.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.931 HD13 ' HB2' ' A' ' 363' ' ' PHE . 7.5 mt -86.75 -66.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.373 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 457' ' ' LYS . 1.3 tp -60.0 -14.48 16.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' GLN . . . . . 0.78 ' HB2' HG12 ' A' ' 450' ' ' VAL . 33.3 tt0 -84.38 -49.01 9.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 451' ' ' GLN . 94.5 t -70.53 -7.79 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' ILE . . . . . 0.975 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -103.72 -60.17 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' LYS . . . . . 0.623 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 0.3 OUTLIER -39.85 -34.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 0.7 OUTLIER -89.23 -40.53 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.2 OUTLIER -121.44 39.57 3.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.975 ' N ' ' O ' ' A' ' 456' ' ' ILE . 4.4 mm-40 -42.53 132.76 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -38.67 -29.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 460' ' ' GLU . 0.8 OUTLIER 172.06 64.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 26.7 ttt 62.43 154.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 465' ' ' LEU . 1.4 t -160.32 152.68 20.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.792 HD23 HD13 ' A' ' 469' ' ' LEU . 0.2 OUTLIER 37.27 -116.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' HIS . . . . . 0.935 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 15.9 p80 -158.16 -176.54 0.63 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.559 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . 0.935 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.4 Cg_endo -75.02 -50.88 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.421 1.748 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.605 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 1.8 mt -41.77 -21.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' LEU . . . . . 0.792 HD13 HD23 ' A' ' 465' ' ' LEU . 0.2 OUTLIER -85.98 -57.01 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -47.39 -30.5 3.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -70.23 -52.25 24.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 468' ' ' LEU . 0.7 OUTLIER -48.39 -59.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' TYR . . . . . 0.646 ' OH ' HG13 ' A' ' 450' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.614 ' O ' ' C ' ' A' ' 208' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . 0.704 ' O ' ' C ' ' A' ' 209' ' ' ALA . 5.1 m -19.66 -69.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.801 ' O ' ' HB3' ' A' ' 213' ' ' ALA . . . 2.8 -109.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' ASP . . . . . 0.547 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 17.0 m-20 -90.27 -10.9 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 1.199 HD22 ' CD1' ' A' ' 419' ' ' LEU . 0.1 OUTLIER -46.66 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . 0.508 ' N ' HD12 ' A' ' 211' ' ' LEU . 0.2 OUTLIER -87.86 -14.81 38.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 209' ' ' ALA . . . -74.58 -63.37 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . 1.067 HD23 ' HB2' ' A' ' 416' ' ' ALA . 15.6 tp -56.03 -50.25 71.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -44.72 -60.96 1.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . 0.667 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -54.07 -28.05 36.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' HIS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 220' ' ' ASP . 32.6 t60 -75.87 -68.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.591 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 386' ' ' ILE . 0.2 OUTLIER -37.78 -54.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' TYR . . . . . 0.498 ' CZ ' HD11 ' A' ' 223' ' ' ILE . 4.8 t80 -69.77 -29.45 66.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . 0.667 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 0.3 OUTLIER -60.02 -76.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' SER . . . . . 0.761 ' HG ' ' HD1' ' A' ' 299' ' ' TYR . 67.6 p -51.46 -27.63 10.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' TYR . . . . . 0.781 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 16.2 t80 -74.68 -52.59 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.498 HD11 ' CZ ' ' A' ' 219' ' ' TYR . 0.6 OUTLIER -57.13 -6.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . 0.509 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -100.42 -43.45 6.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . 0.725 ' HG ' ' C ' ' A' ' 295' ' ' GLU . 44.8 t -65.8 -82.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' PHE . . . . . 0.704 ' CD2' ' HE1' ' A' ' 329' ' ' MET . 1.2 t80 -115.0 110.87 45.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' PRO . . . . . 0.643 ' O ' HG23 ' A' ' 229' ' ' THR . 18.3 Cg_endo -74.98 -22.65 14.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.64 HD12 ' HG ' ' A' ' 333' ' ' LEU . 0.2 OUTLIER -57.74 109.38 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . 0.645 ' O ' ' N ' ' A' ' 233' ' ' ALA . 76.2 p -137.85 -177.65 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . 0.796 ' CG ' ' HB3' ' A' ' 332' ' ' SER . 0.5 OUTLIER -64.56 -26.93 68.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . 0.935 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -78.78 -23.93 44.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' LYS . . . . . 0.524 ' O ' HG12 ' A' ' 236' ' ' ILE . 1.6 mttm -99.8 -34.02 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' ALA . . . . . 1.034 ' HB2' HD12 ' A' ' 333' ' ' LEU . . . -72.71 -51.57 18.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.688 ' N ' ' HD2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -75.62 -9.15 58.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . 0.963 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -80.78 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.634 ' O ' HG21 ' A' ' 241' ' ' THR . 19.5 pt -61.43 -41.69 90.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 237' ' ' LEU . . . . . 0.936 ' CD1' HD21 ' A' ' 340' ' ' LEU . 14.6 mt -46.81 -27.98 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' THR . . . . . . . . . . . . . 5.2 t -173.54 -30.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . 0.963 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -88.55 61.24 3.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 240' ' ' LYS . . . . . 0.686 ' CG ' ' O ' ' A' ' 239' ' ' GLY . 0.0 OUTLIER 147.4 -154.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . 0.634 HG21 ' O ' ' A' ' 236' ' ' ILE . 1.8 t 49.68 42.63 23.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.441 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 242' ' ' THR . 0.4 OUTLIER 62.12 13.61 5.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 243' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.19 73.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 244' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 245' ' ' SER . 0.6 OUTLIER -156.16 -53.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 245' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 244' ' ' LYS . 3.3 p 158.61 152.8 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . 0.7 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo -74.97 128.44 11.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 247' ' ' PHE . . . . . 0.699 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 2.0 t80 -12.26 77.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 1.066 HG13 ' CZ ' ' A' ' 347' ' ' PHE . 3.8 t -53.03 138.39 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 249' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 349' ' ' THR . 0.2 OUTLIER -120.57 106.99 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 250' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 249' ' ' ILE . 7.9 t80 166.09 -28.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 255' ' ' LEU . 3.7 p30 -84.19 145.78 28.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 251' ' ' ASP . 2.8 tmm? -36.01 -51.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.42 ' CB ' ' OD1' ' A' ' 251' ' ' ASP . 1.5 t30 -49.46 -66.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 254' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 248' ' ' VAL . 23.9 p -60.04 -57.79 11.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' LEU . . . . . 0.493 ' C ' HD23 ' A' ' 255' ' ' LEU . 6.1 tt -40.3 -40.89 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' MET . . . . . 0.486 ' C ' ' H ' ' A' ' 258' ' ' GLY . 0.1 OUTLIER -68.21 -65.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' MET . . . . . 0.598 ' O ' ' HB2' ' A' ' 261' ' ' LYS . 0.0 OUTLIER -58.62 -3.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.051 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' GLY . . . . . 0.509 ' O ' ' CG1' ' A' ' 262' ' ' ILE . . . -99.5 -77.75 1.33 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.509 ' OE2' ' NE ' ' A' ' 280' ' ' ARG . 1.2 mt-10 -55.44 -10.94 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 264' ' ' PHE . 4.2 m-20 -99.3 -51.56 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 261' ' ' LYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 257' ' ' MET . 18.4 mmmt -77.72 -77.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.651 HG22 ' CG ' ' A' ' 343' ' ' GLU . 0.9 OUTLIER -40.81 -30.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.511 ' N ' HG13 ' A' ' 262' ' ' ILE . 0.5 OUTLIER -94.06 -81.29 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 264' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 260' ' ' ASP . 72.4 t80 55.44 164.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 264' ' ' PHE . 18.3 tttt 36.68 87.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 266' ' ' HIS . . . . . 0.494 ' CG ' ' O ' ' A' ' 266' ' ' HIS . 18.4 p-80 -160.31 60.76 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.565 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 28.6 mm -120.18 107.39 20.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 268' ' ' THR . . . . . 0.963 HG22 ' HG ' ' A' ' 270' ' ' LEU . 0.4 OUTLIER -149.97 173.71 4.07 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . 0.84 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.1 Cg_endo -74.98 51.72 2.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.963 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.2 OUTLIER -88.6 -105.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 271' ' ' GLN . . . . . 0.445 ' O ' ' O ' ' A' ' 270' ' ' LEU . 15.2 pt20 42.11 -167.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 67.69 -70.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 273' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 271' ' ' GLN . 0.0 OUTLIER -163.96 71.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . 0.511 ' O ' ' C ' ' A' ' 275' ' ' LYS . 3.8 t -147.89 158.46 44.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.968 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 274' ' ' SER . 0.0 OUTLIER 31.2 80.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.364 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 276' ' ' GLU . . . . . 0.616 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 1.2 pt-20 -72.81 177.35 4.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' VAL . . . . . 0.496 HG12 HD22 ' A' ' 356' ' ' LEU . 15.4 t -51.55 -16.58 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . 0.706 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -83.47 -68.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 0.513 ' C ' ' O ' ' A' ' 278' ' ' ALA . 1.3 mp -31.59 -36.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 278' ' ' ALA . 4.6 mtp180 -77.41 -54.72 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' ILE . . . . . 1.071 HD11 ' CZ ' ' A' ' 352' ' ' PHE . 0.6 OUTLIER -74.31 -47.68 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' PHE . . . . . 0.797 ' CD2' ' CZ ' ' A' ' 360' ' ' PHE . 0.5 OUTLIER -50.26 -44.74 53.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 283' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 78.2 mt-30 -67.01 -36.43 82.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 284' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -81.17 -57.14 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 285' ' ' CYS . . . . . 0.618 ' N ' ' O ' ' A' ' 281' ' ' ILE . 1.7 p -55.23 -15.47 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 286' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 3.4 tt0 -107.89 -23.31 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 287' ' ' PHE . . . . . 0.708 ' CE1' ' CG ' ' A' ' 291' ' ' GLU . 8.9 t80 -50.73 -48.26 59.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . 0.569 ' NH2' ' CE2' ' A' ' 287' ' ' PHE . 2.1 mmp_? -48.18 -21.88 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' SER . . . . . 0.536 ' HA ' HD13 ' A' ' 326' ' ' ILE . 1.0 OUTLIER -83.45 -59.61 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 290' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 287' ' ' PHE . 3.0 m -53.27 -23.77 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . 0.708 ' CG ' ' CE1' ' A' ' 287' ' ' PHE . 30.2 mt-10 -78.5 -61.52 1.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . 0.755 ' HB3' ' CD1' ' A' ' 326' ' ' ILE . . . -34.44 -56.83 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . 0.578 HG22 HG11 ' A' ' 322' ' ' VAL . 17.1 t -39.33 -46.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.546 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.8 mt-30 -72.35 -29.37 63.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' GLU . . . . . 0.725 ' C ' ' HG ' ' A' ' 225' ' ' SER . 6.7 mm-40 -76.72 -57.15 4.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . 0.972 HG21 HD21 ' A' ' 318' ' ' LEU . 2.2 mp -37.75 -63.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' THR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -40.07 -60.41 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.47 -27.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' TYR . . . . . 0.781 ' CZ ' ' HB2' ' A' ' 222' ' ' TYR . 0.8 OUTLIER -108.14 -33.83 7.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.776 ' N ' ' O ' ' A' ' 296' ' ' ILE . . . -61.82 -56.35 20.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -50.78 -1.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . 0.756 ' CB ' ' OG ' ' A' ' 221' ' ' SER . 8.2 p -73.49 -39.01 65.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' ILE . . . . . 0.819 HD13 ' CD2' ' A' ' 393' ' ' LEU . 1.7 mt -56.92 129.47 78.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.3 Cg_endo -74.95 47.46 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . 0.593 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -167.35 -27.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.779 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 65.6 t80 -55.34 -60.25 3.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -23.76 33.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -73.55 -14.06 61.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.779 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.2 mt -69.91 -109.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' ASP . . . . . 0.694 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -144.77 151.32 38.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . 0.431 HD12 ' ND2' ' A' ' 312' ' ' ASN . 0.2 OUTLIER -56.41 -46.99 79.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . 0.565 ' CB ' HD11 ' A' ' 401' ' ' LEU . 14.0 m-80 -78.46 -50.49 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' ASP . . . . . 0.878 ' N ' HD12 ' A' ' 401' ' ' LEU . 43.6 t0 -47.49 -53.23 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' GLN . . . . . 0.673 ' HA ' HD21 ' A' ' 317' ' ' LEU . 11.8 mt-30 -50.71 -47.21 59.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 316' ' ' THR . 1.1 t -69.84 -50.19 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.734 HG21 ' O ' ' A' ' 399' ' ' GLY . 1.3 m -42.15 -59.35 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' LEU . . . . . 0.775 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.3 OUTLIER -50.53 -56.34 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' LEU . . . . . 0.972 HD21 HG21 ' A' ' 296' ' ' ILE . 0.2 OUTLIER -54.48 -49.87 69.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -41.49 -42.77 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' TYR . . . . . 0.514 ' O ' ' HD2' ' A' ' 397' ' ' ARG . 11.1 m-85 -113.37 5.15 16.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' GLY . . . . . 0.775 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -107.4 -54.3 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . 0.934 ' HB ' HD23 ' A' ' 318' ' ' LEU . 2.9 p -37.16 -32.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . 0.605 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 17.7 m170 -56.65 -68.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' GLU . . . . . 0.812 ' O ' ' HB ' ' A' ' 328' ' ' THR . 0.9 OUTLIER -58.86 -2.98 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' ILE . . . . . 0.992 HD12 HG22 ' A' ' 391' ' ' ILE . 1.1 mp -93.92 -61.14 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' ILE . . . . . 1.003 HG22 HD22 ' A' ' 330' ' ' LEU . 38.9 mt -56.65 -40.89 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.81 ' CD2' HG22 ' A' ' 446' ' ' VAL . 23.6 m-85 -78.31 -21.31 49.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' THR . . . . . 0.812 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 0.6 OUTLIER -56.82 -58.73 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.94 ' O ' HD22 ' A' ' 333' ' ' LEU . 11.7 ptm -90.17 -31.51 17.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 1.003 HD22 HG22 ' A' ' 326' ' ' ILE . 0.4 OUTLIER -35.84 -64.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' ALA . . . . . 0.882 ' HB1' ' CB ' ' A' ' 371' ' ' ALA . . . -34.0 -49.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . 0.796 ' HB3' ' CG ' ' A' ' 230' ' ' LYS . 0.8 OUTLIER -59.1 -48.06 82.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 1.034 HD12 ' HB2' ' A' ' 233' ' ' ALA . 0.1 OUTLIER -77.52 31.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' MET . . . . . 0.718 ' SD ' HG12 ' A' ' 339' ' ' VAL . 2.9 mmt -108.76 173.44 6.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' ASN . . . . . 0.725 ' O ' ' CD1' ' A' ' 368' ' ' PHE . 3.0 t-20 -140.19 167.87 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' LYS . . . . . 0.765 ' O ' ' CZ ' ' A' ' 368' ' ' PHE . 0.1 OUTLIER -58.29 -45.24 88.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' ASP . . . . . 0.641 ' HA ' ' NH1' ' A' ' 350' ' ' ARG . 1.6 m-20 -135.45 42.23 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . 0.812 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -175.88 178.22 47.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . 0.718 HG12 ' SD ' ' A' ' 334' ' ' MET . 17.0 m -148.73 129.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 0.936 HD21 ' CD1' ' A' ' 237' ' ' LEU . 1.9 mm? -52.87 127.13 22.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' ILE . . . . . 0.957 HG23 ' HA ' ' A' ' 347' ' ' PHE . 0.3 OUTLIER -126.48 129.8 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . 0.506 ' O ' ' O ' ' A' ' 341' ' ' ILE . 27.8 t -36.27 -96.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.651 ' CG ' HG22 ' A' ' 262' ' ' ILE . 0.0 OUTLIER 34.61 -148.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . 0.441 ' N ' ' OE1' ' A' ' 343' ' ' GLU . . . -71.09 28.75 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' GLN . . . . . 0.584 ' H ' ' C ' ' A' ' 343' ' ' GLU . 4.4 mp0 68.24 73.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . 0.699 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . -136.19 -136.81 3.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 1.066 ' CZ ' HG13 ' A' ' 248' ' ' VAL . 3.2 p90 -178.03 143.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 0.735 . . . . 0.0 111.061 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.527 ' O ' ' HA2' ' A' ' 338' ' ' GLY . 4.1 mtp -91.5 115.08 27.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' THR . . . . . 0.958 HG22 ' CE1' ' A' ' 347' ' ' PHE . 2.3 p -71.56 155.7 40.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.431 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . 0.872 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 0.0 OUTLIER -69.0 -52.92 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 355' ' ' SER . 8.2 mm-40 -46.81 -19.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' PHE . . . . . 1.071 ' CZ ' HD11 ' A' ' 281' ' ' ILE . 6.5 t80 -89.14 -74.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' LEU . . . . . 0.884 HD21 ' SD ' ' A' ' 364' ' ' MET . 0.3 OUTLIER -41.03 -54.54 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' LYS . . . . . 0.655 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.4 OUTLIER -57.56 -49.2 77.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 1.7 m -51.28 78.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 354' ' ' LYS . 0.7 OUTLIER 165.81 -159.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' ARG . . . . . 0.616 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.0 OUTLIER -29.95 127.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' LYS . . . . . 0.744 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -44.12 -47.05 23.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.744 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.02 -78.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.444 1.76 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' PHE . . . . . 0.797 ' CZ ' ' CD2' ' A' ' 282' ' ' PHE . 2.0 m-85 -45.7 -13.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . 0.652 ' C ' ' HA ' ' A' ' 354' ' ' LYS . . . -92.41 45.86 2.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 362' ' ' ASP . . . . . . . . . . . . . 21.5 t0 178.15 58.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 363' ' ' PHE . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -124.95 33.45 5.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 364' ' ' MET . . . . . 0.884 ' SD ' HD21 ' A' ' 353' ' ' LEU . 0.0 OUTLIER -157.03 -42.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . 0.872 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 0.8 OUTLIER -46.5 -39.02 12.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.746 ' HD2' ' C ' ' A' ' 364' ' ' MET . 18.2 Cg_endo -74.96 -26.58 10.87 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 367' ' ' LYS . . . . . 0.689 ' HB2' ' HE3' ' A' ' 334' ' ' MET . 11.9 mttt -73.52 -57.03 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 368' ' ' PHE . . . . . 0.765 ' CZ ' ' O ' ' A' ' 336' ' ' LYS . 0.0 OUTLIER -58.97 -50.94 72.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 368' ' ' PHE . 2.0 tt0 -48.19 -52.7 19.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' PHE . . . . . 0.889 ' CD2' HD11 ' A' ' 445' ' ' ILE . 3.3 m-85 -55.5 -35.56 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . 0.882 ' CB ' ' HB1' ' A' ' 331' ' ' ALA . . . -64.18 -45.74 87.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -50.71 -21.81 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 370' ' ' PHE . 0.0 OUTLIER -107.47 -20.97 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 374' ' ' PHE . . . . . 1.07 ' CZ ' HD23 ' A' ' 442' ' ' LEU . 0.7 OUTLIER -89.29 -35.31 16.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . 0.436 HD21 ' HB1' ' A' ' 371' ' ' ALA . 19.4 m120 -49.34 -15.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.501 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -88.75 36.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.822 HD22 ' HG3' ' A' ' 438' ' ' LYS . 1.1 pp -160.52 2.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . 0.847 ' OE1' HD13 ' A' ' 384' ' ' LEU . 3.9 mt-10 -104.05 113.24 26.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 425' ' ' HIS . 4.2 mm? -81.96 -111.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . 0.601 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 27.9 p30 -106.37 141.16 38.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . 0.476 ' HA ' HD12 ' A' ' 384' ' ' LEU . 8.7 m-20 -35.94 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . 0.6 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 3.3 m -58.71 -61.82 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.046 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . 0.54 ' CG ' ' OD1' ' A' ' 380' ' ' ASP . 4.4 m-20 -60.27 -27.79 67.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.847 HD13 ' OE1' ' A' ' 378' ' ' GLU . 4.2 mt -75.86 -55.25 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . 0.891 ' O ' HG22 ' A' ' 388' ' ' ILE . . . -38.16 -40.87 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.836 ' HA ' HD12 ' A' ' 218' ' ' LEU . 14.5 mt -71.98 -49.0 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . 0.859 ' CE2' HD23 ' A' ' 436' ' ' LEU . 6.9 t80 -39.35 -58.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' ILE . . . . . 0.891 HG22 ' O ' ' A' ' 385' ' ' ALA . 8.1 tt -43.81 -33.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . 0.583 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -74.78 -42.36 58.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.556 HG13 ' NE2' ' A' ' 410' ' ' GLN . 59.0 t -59.35 -11.65 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.992 HG22 HD12 ' A' ' 325' ' ' ILE . 4.2 mp -113.69 -20.68 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' ILE . . . . . 0.672 ' N ' HD11 ' A' ' 325' ' ' ILE . 0.2 OUTLIER -69.08 -52.94 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 1.034 HD23 HD11 ' A' ' 413' ' ' LEU . 3.1 mm? -64.54 53.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . 0.855 ' CB ' HD11 ' A' ' 400' ' ' LEU . 0.5 OUTLIER 28.49 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 393' ' ' LEU . . . 55.63 20.18 23.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' ASP . . . . . 0.456 ' HB3' ' NH2' ' A' ' 397' ' ' ARG . 0.3 OUTLIER 167.91 35.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' ARG . . . . . 0.61 ' CG ' ' OG ' ' A' ' 394' ' ' SER . 1.4 mmt180 -118.52 127.54 26.51 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.333 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 133.89 17.17 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.458 1.768 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . 0.734 ' O ' HG21 ' A' ' 316' ' ' THR . . . 91.09 31.46 9.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.855 HD11 ' CB ' ' A' ' 394' ' ' SER . 2.4 mt -78.85 175.14 10.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.878 HD12 ' N ' ' A' ' 313' ' ' ASP . 30.9 mt -117.31 -68.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . 1.058 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 1.4 m120 -106.82 75.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' VAL . . . . . 0.579 ' N ' HD12 ' A' ' 406' ' ' ILE . 1.2 t -65.67 -7.72 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.681 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 12.3 mtmt -78.02 -54.01 1.35 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . 1.058 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -74.97 -38.81 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . 0.88 HD12 ' C ' ' A' ' 402' ' ' ASN . 3.8 mt -57.53 -71.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.21 -23.18 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . 0.681 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 49.5 m-20 -74.72 -51.59 13.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' ILE . . . . . 0.747 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 4.7 mm -56.43 -22.37 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . 0.611 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -74.33 -45.77 45.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -44.12 -25.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . 0.434 ' N ' ' C ' ' A' ' 410' ' ' GLN . 12.5 t30 -84.42 -66.52 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 1.034 HD11 HD23 ' A' ' 393' ' ' LEU . 0.1 OUTLIER -42.85 -41.22 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.522 ' CD2' ' CE2' ' A' ' 432' ' ' PHE . 0.2 OUTLIER -60.12 -48.93 79.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.613 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 39.4 mt-30 -50.46 -55.54 15.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 1.067 ' HB2' HD23 ' A' ' 214' ' ' LEU . . . -52.77 -45.52 67.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 1.086 HD11 ' HB2' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -49.15 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' GLU . . . . . 1.014 ' H ' HD13 ' A' ' 417' ' ' LEU . 7.2 tm-20 -55.4 -19.1 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 1.199 ' CD1' HD22 ' A' ' 211' ' ' LEU . 0.3 OUTLIER -68.62 -84.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' GLN . . . . . 0.717 ' NE2' ' ND2' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -57.36 -8.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.788 HD13 HD21 ' A' ' 417' ' ' LEU . 9.6 tt -91.89 -50.54 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . 0.6 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 0.7 OUTLIER -71.36 -2.37 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.432 ' CD1' HD21 ' A' ' 211' ' ' LEU . 10.5 mt -104.9 -45.44 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.717 ' ND2' ' NE2' ' A' ' 420' ' ' GLN . 50.9 m-20 -73.41 -9.11 58.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.576 ' CD2' ' HG ' ' A' ' 379' ' ' LEU . 0.0 OUTLIER -167.28 69.28 0.95 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.56 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.6 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.2 Cg_endo -75.05 115.49 4.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 428' ' ' SER . 16.4 pt-20 -174.56 125.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 427' ' ' GLU . 0.3 OUTLIER 84.06 -166.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 431' ' ' LEU . 53.0 m -129.73 154.69 46.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' GLN . . . . . 0.627 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER 39.97 27.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 429' ' ' SER . 34.0 tp -40.13 -43.19 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' PHE . . . . . 1.086 ' HB2' HD11 ' A' ' 417' ' ' LEU . 25.8 p90 -72.58 -37.69 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' ALA . . . . . 0.627 ' HB3' ' HB2' ' A' ' 430' ' ' GLN . . . -56.33 -25.22 48.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -104.25 -17.93 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' LEU . . . . . 0.814 ' O ' HD12 ' A' ' 435' ' ' LEU . 0.1 OUTLIER -82.71 -30.72 28.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.859 HD23 ' CE2' ' A' ' 387' ' ' PHE . 79.9 mt -75.71 -43.9 44.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' GLN . . . . . 0.64 ' O ' HG23 ' A' ' 440' ' ' THR . 3.0 mt-30 -43.43 -16.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.822 ' HG3' HD22 ' A' ' 377' ' ' LEU . 1.3 mmpp? -50.79 -24.66 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' MET . . . . . 0.607 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -28.05 -41.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 437' ' ' GLN . 66.6 p -33.86 -74.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 110.413 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.617 ' O ' HG13 ' A' ' 445' ' ' ILE . 0.2 OUTLIER -57.9 -24.27 56.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 1.07 HD23 ' CZ ' ' A' ' 374' ' ' PHE . 0.1 OUTLIER -73.76 -76.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . 0.607 ' N ' ' O ' ' A' ' 439' ' ' MET . 6.9 ttp180 -49.7 -18.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.9 ' O ' HG22 ' A' ' 447' ' ' THR . 7.2 mm-40 -69.65 -65.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.889 HD11 ' CD2' ' A' ' 370' ' ' PHE . 0.3 OUTLIER -43.17 -43.37 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.81 HG22 ' CD2' ' A' ' 327' ' ' TYR . 10.6 t -51.94 -69.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . 0.9 HG22 ' O ' ' A' ' 444' ' ' GLN . 8.9 t -45.27 -24.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 446' ' ' VAL . 8.0 mt-10 -80.48 -53.41 6.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -43.92 -29.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.538 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' VAL . . . . . 0.956 HG12 ' HB2' ' A' ' 454' ' ' GLN . 4.0 t -86.51 -47.75 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' GLN . . . . . 0.613 ' O ' HG23 ' A' ' 455' ' ' VAL . 44.5 mt-30 -40.15 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 363' ' ' PHE . 7.8 mt -89.43 -57.46 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.618 ' HA ' ' CG1' ' A' ' 456' ' ' ILE . 5.0 tp -70.15 -7.33 40.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . 0.956 ' HB2' HG12 ' A' ' 450' ' ' VAL . 2.2 tp60 -94.69 -46.83 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 451' ' ' GLN . 77.3 t -69.85 -14.3 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.928 HD12 ' N ' ' A' ' 457' ' ' LYS . 2.4 pp -99.13 -52.61 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.928 ' N ' HD12 ' A' ' 456' ' ' ILE . 0.0 OUTLIER -56.46 -16.39 5.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.74 ' HG3' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -113.68 -22.1 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 459' ' ' THR . 3.0 m -153.89 56.79 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.2 mm-40 -51.14 172.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -69.61 -29.62 67.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 461' ' ' THR . 3.2 t0 168.97 46.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' MET . . . . . 0.471 ' O ' ' CB ' ' A' ' 464' ' ' SER . 0.5 OUTLIER 59.14 145.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 463' ' ' MET . 0.6 OUTLIER 161.35 44.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.034 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.789 HD23 ' C ' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -138.5 169.72 17.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . 1.077 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 8.1 p80 -119.28 -172.44 0.22 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.618 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . 1.077 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.98 -43.75 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.682 HD12 ' ND1' ' A' ' 466' ' ' HIS . 0.6 OUTLIER -47.04 -18.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 0.0 109.365 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.794 HD21 ' CE1' ' A' ' 466' ' ' HIS . 13.5 mt -93.86 -55.64 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -47.51 -29.37 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 467' ' ' PRO . 35.5 mt-10 -75.72 -51.5 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.1 mm -46.33 -57.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' TYR . . . . . 0.537 ' CZ ' ' HD3' ' A' ' 457' ' ' LYS . 1.4 t80 -55.52 -51.49 66.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.95 161.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -92.02 159.94 15.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 8.8 tt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.606 ' HG2' HD11 ' A' ' 419' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . 0.699 ' O ' ' C ' ' A' ' 209' ' ' ALA . 3.6 m -65.4 -59.83 3.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.973 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.699 ' C ' ' O ' ' A' ' 208' ' ' SER . . . -8.2 -63.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' ASP . . . . . 0.673 ' O ' ' N ' ' A' ' 214' ' ' LEU . 0.0 OUTLIER -86.57 -57.37 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.865 HD11 ' CB ' ' A' ' 416' ' ' ALA . 0.2 OUTLIER -40.88 -63.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 208' ' ' SER . 9.7 mmt180 -56.05 -37.91 69.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 209' ' ' ALA . . . -69.89 -60.51 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . 0.673 ' N ' ' O ' ' A' ' 210' ' ' ASP . 0.3 OUTLIER -49.53 -34.3 17.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 217' ' ' HIS . . . -53.1 -70.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . 0.803 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -35.59 -34.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' HIS . . . . . 0.619 ' O ' ' N ' ' A' ' 220' ' ' ASP . 40.4 t60 -69.43 -66.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.646 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.805 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 0.1 OUTLIER -34.33 -56.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' TYR . . . . . 1.069 ' CE1' ' HA ' ' A' ' 382' ' ' SER . 59.9 m-85 -73.56 -26.41 60.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . 0.803 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 9.2 t0 -56.83 -77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' SER . . . . . 0.583 ' HB3' ' CB ' ' A' ' 302' ' ' SER . 14.6 t -53.0 -27.38 18.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 222' ' ' TYR . . . . . 0.811 ' CD2' ' CE2' ' A' ' 299' ' ' TYR . 0.8 OUTLIER -74.91 -47.3 30.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 111.036 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.599 ' N ' ' O ' ' A' ' 219' ' ' TYR . 1.1 mp -55.96 -10.66 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 220' ' ' ASP . 1.2 mptp? -98.0 -44.7 6.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . 0.58 ' OG ' ' O ' ' A' ' 295' ' ' GLU . 43.3 t -62.91 -84.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 226' ' ' PHE . . . . . 0.625 ' CZ ' ' HB3' ' A' ' 228' ' ' LEU . 6.1 t80 -113.42 96.47 39.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 227' ' ' PRO . . . . . 0.632 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.2 Cg_endo -75.02 -18.92 18.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.639 HD12 HD13 ' A' ' 333' ' ' LEU . 0.9 OUTLIER -61.85 65.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . 0.632 ' N ' ' O ' ' A' ' 227' ' ' PRO . 12.4 p -86.64 -162.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . 0.6 ' HG2' HD11 ' A' ' 384' ' ' LEU . 0.0 OUTLIER -80.34 -27.08 38.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . 0.474 ' HB3' ' OD2' ' A' ' 381' ' ' ASP . . . -78.87 -42.09 28.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 232' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 227' ' ' PRO . 3.9 mttp -74.72 -36.81 62.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 233' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 229' ' ' THR . . . -69.84 -42.66 73.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.826 ' NH1' HD13 ' A' ' 237' ' ' LEU . 0.0 OUTLIER -77.73 -4.8 48.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . 1.044 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -83.24 -56.32 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.731 ' HA ' ' CG2' ' A' ' 241' ' ' THR . 19.8 pt -73.3 -35.2 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 237' ' ' LEU . . . . . 0.826 HD13 ' NH1' ' A' ' 234' ' ' ARG . 12.7 mt -54.17 -29.45 45.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 238' ' ' THR . . . . . 0.514 ' HA ' ' CB ' ' A' ' 244' ' ' LYS . 1.4 t 176.63 25.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.443 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . 1.044 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -116.2 50.36 0.79 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 240' ' ' LYS . . . . . 0.99 ' HB2' ' O ' ' A' ' 239' ' ' GLY . 0.0 OUTLIER 102.17 -115.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . 0.731 ' CG2' ' HA ' ' A' ' 236' ' ' ILE . 1.6 t 51.35 58.64 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.371 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.591 HG22 ' N ' ' A' ' 243' ' ' ASP . 0.4 OUTLIER 80.22 -58.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.386 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 243' ' ' ASP . . . . . 0.591 ' N ' HG22 ' A' ' 242' ' ' THR . 0.7 OUTLIER -166.47 67.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 244' ' ' LYS . . . . . 0.688 ' N ' ' O ' ' A' ' 240' ' ' LYS . 0.0 OUTLIER 31.4 95.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.247 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 245' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 244' ' ' LYS . 0.9 OUTLIER 158.36 104.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . 0.776 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.4 Cg_endo -74.97 124.99 9.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 247' ' ' PHE . . . . . 0.638 ' C ' ' O ' ' A' ' 246' ' ' PRO . 12.3 t80 -11.59 73.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 0.999 HG13 ' CZ ' ' A' ' 347' ' ' PHE . 2.8 t -50.49 139.03 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 249' ' ' ILE . . . . . 0.574 HG22 ' O ' ' A' ' 249' ' ' ILE . 0.1 OUTLIER -129.08 105.48 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 250' ' ' TYR . . . . . 0.41 ' HB3' HG21 ' A' ' 349' ' ' THR . 0.1 OUTLIER 177.93 -30.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . 0.502 ' N ' ' OG ' ' A' ' 254' ' ' SER . 0.3 OUTLIER -64.99 173.75 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.346 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 252' ' ' MET . . . . . . . . . . . . . 33.6 mtt -60.11 -40.02 88.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -61.1 -48.06 83.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 254' ' ' SER . . . . . 0.502 ' OG ' ' N ' ' A' ' 251' ' ' ASP . 1.4 p -58.52 -67.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 255' ' ' LEU . . . . . 0.622 HD13 ' C ' ' A' ' 255' ' ' LEU . 0.4 OUTLIER -40.66 -50.22 3.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 256' ' ' MET . . . . . 0.601 ' N ' HD13 ' A' ' 255' ' ' LEU . 1.8 ttm -53.75 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 257' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 261' ' ' LYS . 26.2 ptm -52.49 -12.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 258' ' ' GLY . . . . . 0.666 ' O ' HG22 ' A' ' 262' ' ' ILE . . . -85.65 -94.66 0.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.534 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 0.9 OUTLIER -45.09 -21.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 256' ' ' MET . 4.4 t70 -95.77 -64.4 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 261' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 257' ' ' MET . 0.7 OUTLIER -95.96 55.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 258' ' ' GLY . 0.7 OUTLIER -169.24 -38.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 264' ' ' PHE . 0.1 OUTLIER -102.37 -27.65 12.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 264' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 260' ' ' ASP . 0.7 OUTLIER -36.47 -45.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 266' ' ' HIS . 26.6 tttt -46.92 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 266' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 265' ' ' LYS . 9.1 p-80 54.99 171.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.55 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 267' ' ' ILE . 7.2 mm -88.89 -76.29 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 268' ' ' THR . . . . . 1.025 HG22 ' HG ' ' A' ' 270' ' ' LEU . 0.5 OUTLIER -137.35 174.69 4.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.446 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . 0.794 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.2 Cg_endo -74.98 50.15 2.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 1.025 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.2 OUTLIER -86.54 -99.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 271' ' ' GLN . . . . . 0.51 ' CG ' ' O ' ' A' ' 271' ' ' GLN . 1.9 pt20 29.38 46.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 270' ' ' LEU . 0.0 OUTLIER -59.16 80.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 273' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 271' ' ' GLN . 1.0 OUTLIER 45.79 25.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 89.4 p -126.24 62.14 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.459 ' HA ' HG21 ' A' ' 279' ' ' ILE . 1.1 tmmt? -144.07 142.51 30.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 276' ' ' GLU . . . . . 0.756 ' OE2' ' HB3' ' A' ' 278' ' ' ALA . 0.2 OUTLIER -137.64 164.66 28.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 277' ' ' VAL . . . . . 0.566 HG13 ' NH2' ' A' ' 280' ' ' ARG . 2.8 t -50.47 -32.19 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . 0.831 ' HB1' ' O ' ' A' ' 360' ' ' PHE . . . -77.98 -70.25 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 0.612 ' C ' ' O ' ' A' ' 278' ' ' ALA . 0.4 OUTLIER -22.31 -45.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . 0.652 ' N ' ' O ' ' A' ' 278' ' ' ALA . 1.5 ptt180 -75.83 -55.18 5.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 281' ' ' ILE . . . . . 0.639 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.4 OUTLIER -70.93 -44.41 75.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 282' ' ' PHE . . . . . 0.795 ' CE1' ' CE2' ' A' ' 360' ' ' PHE . 0.1 OUTLIER -51.67 -48.87 63.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 283' ' ' GLN . . . . . 0.539 ' HG3' ' N ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -57.81 -36.07 71.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 284' ' ' GLY . . . . . 0.539 ' N ' ' HG3' ' A' ' 283' ' ' GLN . . . -82.56 -56.45 2.8 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 285' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 353' ' ' LEU . 1.5 m -54.02 -14.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 286' ' ' GLN . . . . . 0.473 ' N ' ' C ' ' A' ' 284' ' ' GLY . 33.5 tp60 -107.55 -24.5 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 287' ' ' PHE . . . . . 0.684 ' HA ' HG22 ' A' ' 290' ' ' VAL . 17.1 t80 -55.07 -28.73 54.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -21.31 65.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 289' ' ' SER . . . . . 0.696 ' HA ' HD13 ' A' ' 326' ' ' ILE . 13.4 t -87.11 -59.59 2.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 290' ' ' VAL . . . . . 0.684 HG22 ' HA ' ' A' ' 287' ' ' PHE . 27.3 m -50.23 -22.84 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . 0.635 ' O ' ' N ' ' A' ' 294' ' ' GLN . 46.2 mt-10 -82.77 -59.19 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . 0.63 ' CB ' HG12 ' A' ' 326' ' ' ILE . . . -31.99 -57.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . 0.605 ' HA ' HD22 ' A' ' 318' ' ' LEU . 1.5 p -43.61 -45.44 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.635 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.7 mt-30 -72.16 -26.3 62.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 295' ' ' GLU . . . . . 0.58 ' O ' ' OG ' ' A' ' 225' ' ' SER . 5.7 mt-10 -78.98 -61.58 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . 0.955 HG21 HD12 ' A' ' 392' ' ' ILE . 3.6 mt -40.85 -66.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 297' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 299' ' ' TYR . 0.9 OUTLIER -40.52 -63.41 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 110.434 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.83 -26.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 299' ' ' TYR . . . . . 0.811 ' CE2' ' CD2' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -102.68 -55.68 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 1.032 ' O ' ' N ' ' A' ' 302' ' ' SER . . . -34.11 -49.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -37.66 0.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . 1.032 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -75.47 -39.86 58.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 303' ' ' ILE . . . . . 0.627 HD13 ' CD2' ' A' ' 393' ' ' LEU . 0.9 OUTLIER -61.81 130.72 92.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 304' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.5 Cg_endo -74.98 48.02 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.427 1.751 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . 0.802 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -169.6 -30.39 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.575 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 52.1 t80 -44.51 -63.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -28.58 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -76.74 -0.52 24.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 1.015 HD11 HD11 ' A' ' 393' ' ' LEU . 25.9 mt -81.79 -71.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 310' ' ' ASP . . . . . 0.809 ' CG ' HD12 ' A' ' 401' ' ' LEU . 6.2 t0 178.23 158.06 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . 0.552 ' H ' HD23 ' A' ' 311' ' ' LEU . 0.2 OUTLIER -73.75 -46.01 48.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . 0.846 ' HB2' HD11 ' A' ' 401' ' ' LEU . 21.4 m-80 -81.53 -58.7 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' ASP . . . . . 0.781 ' HB3' ' NE2' ' A' ' 314' ' ' GLN . 50.1 t0 -35.4 -59.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 314' ' ' GLN . . . . . 0.94 ' OE1' HD21 ' A' ' 317' ' ' LEU . 0.0 OUTLIER -60.58 -45.61 93.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 315' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 311' ' ' LEU . 6.6 t -63.65 -36.79 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.893 HG21 ' C ' ' A' ' 399' ' ' GLY . 1.0 OUTLIER -60.89 -61.32 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 317' ' ' LEU . . . . . 0.94 HD21 ' OE1' ' A' ' 314' ' ' GLN . 0.3 OUTLIER -44.54 -47.81 10.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 318' ' ' LEU . . . . . 0.975 HD11 HD11 ' A' ' 392' ' ' ILE . 0.3 OUTLIER -62.61 -50.24 72.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -42.62 -28.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 320' ' ' TYR . . . . . 0.475 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 1.1 m-85 -132.87 5.97 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 321' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -106.17 -45.68 1.24 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.573 1.171 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . 0.933 HG22 HD11 ' A' ' 326' ' ' ILE . 4.3 p -39.11 -28.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . 0.513 ' O ' ' CG ' ' A' ' 327' ' ' TYR . 70.7 m-70 -66.21 -44.47 83.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 324' ' ' GLU . . . . . 0.998 ' HA ' ' CE1' ' A' ' 327' ' ' TYR . 23.2 mt-10 -76.15 4.19 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 325' ' ' ILE . . . . . 0.928 HG23 HG12 ' A' ' 388' ' ' ILE . 0.9 OUTLIER -109.77 -44.46 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' ILE . . . . . 0.933 HD11 HG22 ' A' ' 322' ' ' VAL . 3.8 mt -76.29 -37.4 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.998 ' CE1' ' HA ' ' A' ' 324' ' ' GLU . 0.0 OUTLIER -77.5 -5.23 49.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' THR . . . . . 0.918 ' N ' ' HD1' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -87.82 -56.99 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.695 ' SD ' HD11 ' A' ' 333' ' ' LEU . 4.9 ptt? -85.46 -21.03 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.705 ' HB2' ' O ' ' A' ' 326' ' ' ILE . 1.6 mt -39.96 -63.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' ALA . . . . . 1.036 ' HA ' ' HB2' ' A' ' 371' ' ' ALA . . . -30.45 -56.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . 0.56 ' CB ' ' HB2' ' A' ' 230' ' ' LYS . 67.2 m -59.27 -49.58 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.792 ' N ' HD23 ' A' ' 333' ' ' LEU . 0.2 OUTLIER -66.07 -12.46 55.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' MET . . . . . 0.813 ' CE ' ' HB3' ' A' ' 367' ' ' LYS . 5.3 mtp -90.17 174.76 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' ASN . . . . . 0.643 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.7 t-20 -140.45 171.0 14.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' LYS . . . . . 0.643 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -51.06 -57.97 7.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' ASP . . . . . 0.529 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 1.7 m-20 -126.93 37.63 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . 0.801 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -167.82 172.71 42.67 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . 0.756 HG13 ' CE1' ' A' ' 368' ' ' PHE . 14.2 m -151.94 129.11 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' A' ' 236' ' ' ILE . 0.8 OUTLIER -35.66 157.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' ILE . . . . . 0.803 HG23 ' HA ' ' A' ' 347' ' ' PHE . 3.1 pt -154.16 136.15 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . 0.535 ' O ' ' C ' ' A' ' 343' ' ' GLU . 0.4 OUTLIER 50.35 75.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.535 ' C ' ' O ' ' A' ' 342' ' ' SER . 2.8 pm0 -27.8 105.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 111.93 -6.07 27.41 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' GLN . . . . . 0.573 ' O ' ' HB2' ' A' ' 247' ' ' PHE . 25.7 mm-40 -95.69 -96.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.75 . . . . 0.0 110.249 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . 0.604 ' HA3' ' HB3' ' A' ' 247' ' ' PHE . . . -150.75 -122.63 1.08 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 0.999 ' CZ ' HG13 ' A' ' 248' ' ' VAL . 8.1 p90 -160.32 149.43 17.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.593 ' N ' ' CG2' ' A' ' 341' ' ' ILE . 1.4 mmm -97.51 114.61 26.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' THR . . . . . 0.801 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 1.5 p -64.97 154.58 37.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . 0.86 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 21.4 ttm180 -62.52 -51.52 67.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' GLU . . . . . 0.643 ' HA ' ' HD2' ' A' ' 354' ' ' LYS . 29.4 mm-40 -38.61 -24.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' PHE . . . . . 0.548 ' N ' ' O ' ' A' ' 350' ' ' ARG . 0.3 OUTLIER -88.15 -68.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' LEU . . . . . 0.812 HD11 ' CZ ' ' A' ' 368' ' ' PHE . 0.2 OUTLIER -54.63 -22.67 14.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' LYS . . . . . 0.643 ' HD2' ' HA ' ' A' ' 351' ' ' GLU . 0.1 OUTLIER -85.27 -43.77 13.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . 0.765 ' O ' HD23 ' A' ' 356' ' ' LEU . 9.6 m -66.88 72.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' LEU . . . . . 0.99 ' HB2' ' CA ' ' A' ' 361' ' ' GLY . 4.1 mt -141.87 -120.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 357' ' ' ARG . . . . . 0.861 ' H ' ' HA3' ' A' ' 361' ' ' GLY . 19.7 ptt180 -124.79 156.2 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' LYS . . . . . 0.821 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -29.06 -64.87 0.17 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 1.161 ' O ' ' N ' ' A' ' 361' ' ' GLY . 18.3 Cg_endo -75.0 172.76 15.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.77 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' PHE . . . . . 0.831 ' O ' ' HB1' ' A' ' 278' ' ' ALA . 0.1 OUTLIER -0.67 44.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 111.023 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . 1.161 ' N ' ' O ' ' A' ' 359' ' ' PRO . . . -141.48 -25.07 0.21 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 362' ' ' ASP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 354' ' ' LYS . 0.7 OUTLIER -154.21 48.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 363' ' ' PHE . . . . . 0.99 ' CG ' HD11 ' A' ' 452' ' ' LEU . 5.2 m-85 -129.09 20.73 5.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 364' ' ' MET . . . . . 0.694 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 0.0 OUTLIER -94.2 1.47 56.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . 0.86 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 0.1 OUTLIER -61.96 -32.68 10.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.99 -25.08 12.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 367' ' ' LYS . . . . . 0.813 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 2.4 mptt -70.4 -59.28 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 368' ' ' PHE . . . . . 0.812 ' CZ ' HD11 ' A' ' 353' ' ' LEU . 2.4 m-30 -59.63 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -55.27 -45.3 76.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 370' ' ' PHE . . . . . 0.923 ' CZ ' ' HB2' ' A' ' 331' ' ' ALA . 0.1 OUTLIER -50.89 -48.72 60.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . 1.036 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -60.1 -47.43 85.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 24.6 t -61.3 -13.26 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.83 -24.44 12.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 374' ' ' PHE . . . . . 0.513 ' HB2' ' CE1' ' A' ' 370' ' ' PHE . 54.9 t80 -90.44 -40.31 12.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . 0.542 ' ND2' ' OE1' ' A' ' 378' ' ' GLU . 1.5 m-80 -55.18 -11.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -89.39 31.06 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 379' ' ' LEU . 1.2 pp -168.79 3.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . 0.926 ' C ' HD22 ' A' ' 379' ' ' LEU . 87.6 mt-10 -64.69 162.4 15.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.926 HD22 ' C ' ' A' ' 378' ' ' GLU . 3.7 mm? -134.26 -106.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . 0.671 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 0.6 OUTLIER -130.26 147.24 51.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' A' ' 385' ' ' ALA . 93.6 m-20 -40.65 -29.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . 1.069 ' HA ' ' CE1' ' A' ' 219' ' ' TYR . 0.1 OUTLIER -51.97 -66.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . 0.496 ' OD2' ' CB ' ' A' ' 379' ' ' LEU . 2.5 m-20 -59.74 -28.42 67.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 3.9 mt -74.39 -76.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . 1.036 ' HB3' ' CE1' ' A' ' 219' ' ' TYR . . . -32.13 -62.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 390' ' ' VAL . 3.5 mt -40.3 -68.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . 0.577 ' N ' HG22 ' A' ' 386' ' ' ILE . 0.2 OUTLIER -33.57 -50.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 388' ' ' ILE . . . . . 0.928 HG12 HG23 ' A' ' 325' ' ' ILE . 0.0 OUTLIER -47.57 -58.46 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . 0.58 ' N ' HG22 ' A' ' 388' ' ' ILE . . . -58.62 -28.71 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.988 HG22 ' HB2' ' A' ' 413' ' ' LEU . 4.0 t -78.82 -25.29 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.923 HD13 ' O ' ' A' ' 324' ' ' GLU . 17.5 mt -77.09 -25.15 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' ILE . . . . . 0.975 HD11 HD11 ' A' ' 318' ' ' LEU . 0.8 OUTLIER -83.11 -49.5 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 1.015 HD11 HD11 ' A' ' 309' ' ' LEU . 0.1 OUTLIER -69.22 15.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . 0.613 ' H ' ' C ' ' A' ' 392' ' ' ILE . 63.6 m -92.39 111.28 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' GLY . . . . . 0.762 ' HA3' HG22 ' A' ' 403' ' ' VAL . . . -82.21 68.31 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -106.77 -21.57 12.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' ARG . . . . . 0.535 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -66.48 125.66 90.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 6.56 3.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . 0.893 ' C ' HG21 ' A' ' 316' ' ' THR . . . -125.81 34.93 3.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.737 HD22 HD23 ' A' ' 317' ' ' LEU . 27.7 mt -92.33 168.86 11.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.846 HD11 ' HB2' ' A' ' 312' ' ' ASN . 25.8 mt -108.4 -64.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . 1.282 ' O ' HD13 ' A' ' 406' ' ' ILE . 1.7 m120 -109.24 93.8 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' VAL . . . . . 0.762 HG22 ' HA3' ' A' ' 395' ' ' GLY . 1.0 OUTLIER -85.59 -5.81 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.54 ' N ' ' CD ' ' A' ' 405' ' ' PRO . 0.0 OUTLIER -81.87 -50.16 0.88 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . 0.75 ' CG ' ' HB3' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.0 -19.71 17.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . 1.282 HD13 ' O ' ' A' ' 402' ' ' ASN . 0.5 OUTLIER -81.14 -46.84 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -74.49 -18.48 60.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . 0.484 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 86.9 m-20 -81.75 -51.05 8.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' ILE . . . . . 0.63 HG22 ' HG ' ' A' ' 393' ' ' LEU . 19.7 mm -61.21 -23.3 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . 0.78 ' CB ' ' HB3' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -82.65 -37.53 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.348 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.14 -23.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.8 OUTLIER -87.66 -56.36 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.988 ' HB2' HG22 ' A' ' 390' ' ' VAL . 1.1 mt -49.68 -40.78 41.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.767 HD12 HG11 ' A' ' 390' ' ' VAL . 7.2 tp -62.19 -53.48 54.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 39.8 mt-30 -46.0 -47.73 16.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.865 ' CB ' HD11 ' A' ' 211' ' ' LEU . . . -54.89 -54.82 37.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 1.007 ' C ' HD22 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -41.14 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' GLU . . . . . 0.919 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.2 OUTLIER -52.14 -28.52 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.82 HD13 ' HG ' ' A' ' 211' ' ' LEU . 3.5 tt -69.16 -77.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' GLN . . . . . 0.73 ' N ' HD23 ' A' ' 419' ' ' LEU . 0.0 OUTLIER -53.73 -8.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 431' ' ' LEU . 0.6 OUTLIER -89.52 -46.45 8.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . 0.754 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 1.5 mmtt -79.39 6.03 11.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.601 HD11 ' HG ' ' A' ' 419' ' ' LEU . 10.5 mt -119.08 -39.37 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.667 HD22 ' NE2' ' A' ' 420' ' ' GLN . 45.0 p-10 -82.6 -13.09 57.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.663 ' CD2' ' OD1' ' A' ' 424' ' ' ASN . 13.9 p80 177.33 71.3 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.754 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.1 Cg_endo -75.02 140.96 26.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -129.36 13.97 6.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.88 67.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 13.9 t -166.71 -142.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' GLN . . . . . 0.706 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -113.64 30.08 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . 0.656 ' HB3' HD21 ' A' ' 421' ' ' LEU . 20.1 tp -37.41 -31.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' PHE . . . . . 0.857 ' CD1' HD11 ' A' ' 417' ' ' LEU . 0.2 OUTLIER -85.99 -50.3 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' ALA . . . . . 0.706 ' HB3' ' HB2' ' A' ' 430' ' ' GLN . . . -48.19 -21.84 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.545 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.5 OUTLIER -96.91 -48.15 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' LEU . . . . . 0.605 HD12 ' CD1' ' A' ' 421' ' ' LEU . 0.5 OUTLIER -39.8 -37.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.799 HD23 ' CE1' ' A' ' 432' ' ' PHE . 2.6 pp -77.75 -45.38 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' GLN . . . . . 0.675 ' O ' HG23 ' A' ' 440' ' ' THR . 1.0 OUTLIER -48.18 -12.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 440' ' ' THR . 0.1 OUTLIER -52.89 -22.46 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' MET . . . . . 0.648 ' HA ' ' HB2' ' A' ' 442' ' ' LEU . 0.0 OUTLIER -31.1 -33.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 437' ' ' GLN . 71.8 p -35.03 -100.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.747 ' O ' ' CD1' ' A' ' 445' ' ' ILE . 0.0 OUTLIER -52.02 -22.83 4.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.982 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 0.1 OUTLIER -64.63 -86.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 439' ' ' MET . 2.6 ttt180 -53.48 -9.7 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.771 ' O ' HG22 ' A' ' 447' ' ' THR . 5.0 mm-40 -70.98 -88.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.747 ' CD1' ' O ' ' A' ' 441' ' ' ASP . 0.0 OUTLIER -36.99 -46.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 447' ' ' THR . 2.5 t -48.17 -69.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . 0.771 HG22 ' O ' ' A' ' 444' ' ' GLN . 14.5 t -51.2 -19.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -53.56 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' HIS . . . . . 0.706 ' CD2' HG23 ' A' ' 450' ' ' VAL . 0.0 OUTLIER -44.01 -33.95 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.603 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' VAL . . . . . 0.706 HG23 ' CD2' ' A' ' 449' ' ' HIS . 39.6 t -83.57 -51.22 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -23.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.99 HD11 ' CG ' ' A' ' 363' ' ' PHE . 11.0 mt -85.4 -72.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.525 ' HA ' HG22 ' A' ' 456' ' ' ILE . 0.2 OUTLIER -57.8 -16.75 12.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . 0.615 ' N ' ' O ' ' A' ' 450' ' ' VAL . 11.6 tt0 -80.07 -56.55 4.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 455' ' ' VAL . 48.3 t -70.6 -0.21 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.827 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -107.22 -60.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.623 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 3.1 pttt -45.41 -24.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 1.1 mmmm -99.51 -39.36 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.19 47.19 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.827 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.2 mm-40 -42.68 132.25 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.524 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -37.07 -30.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.369 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 461' ' ' THR . 2.1 t70 168.2 59.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' MET . . . . . 0.448 ' O ' ' CB ' ' A' ' 464' ' ' SER . 7.2 ttt 61.35 131.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 463' ' ' MET . 0.5 OUTLIER 163.76 83.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.76 HD23 ' C ' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -166.23 167.13 16.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . 0.976 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 32.2 p80 -116.81 -176.0 0.35 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . 0.976 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.91 -53.42 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.43 ' O ' ' CG1' ' A' ' 472' ' ' ILE . 10.3 mt -56.42 -8.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.615 ' HG ' HD12 ' A' ' 465' ' ' LEU . 2.0 tp -87.73 -56.04 3.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.26 -29.83 67.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 467' ' ' PRO . 39.7 mt-10 -72.79 -69.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . 0.798 HD12 ' N ' ' A' ' 473' ' ' TYR . 2.6 pp -37.92 -57.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' TYR . . . . . 0.798 ' N ' HD12 ' A' ' 472' ' ' ILE . 0.0 OUTLIER -48.31 -51.41 26.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.97 142.11 3.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -63.9 -67.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' A' ' 210' ' ' ASP . 4.7 tt0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 211' ' ' LEU . 8.2 m -62.42 -62.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.961 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 208' ' ' SER . . . -33.45 -39.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' ASP . . . . . 0.61 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 0.0 OUTLIER -86.99 -45.25 10.94 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.971 HD21 ' HB3' ' A' ' 415' ' ' GLN . 0.1 OUTLIER -40.14 -54.37 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . 0.468 ' NH1' ' HB2' ' A' ' 420' ' ' GLN . 3.0 tpm_? -73.8 -27.15 60.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.61 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -67.54 -57.06 7.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . 0.494 ' O ' ' HB3' ' A' ' 217' ' ' HIS . 0.5 OUTLIER -46.43 -45.87 18.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -46.61 -61.68 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . 0.564 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -45.43 -32.1 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' HIS . . . . . 0.592 ' HA ' ' HB2' ' A' ' 220' ' ' ASP . 57.0 t60 -71.69 -67.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.633 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 1.004 HD12 HG23 ' A' ' 386' ' ' ILE . 2.9 mt -38.46 -57.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' TYR . . . . . 0.631 ' CD2' ' CB ' ' A' ' 385' ' ' ALA . 4.7 t80 -67.88 -27.59 66.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . 0.86 ' O ' HG22 ' A' ' 223' ' ' ILE . 0.4 OUTLIER -60.09 -74.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' SER . . . . . 0.588 ' CB ' ' HB3' ' A' ' 302' ' ' SER . 13.3 t -54.89 -25.36 28.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 222' ' ' TYR . . . . . 0.87 ' CD1' ' CD2' ' A' ' 299' ' ' TYR . 0.7 OUTLIER -78.1 -47.02 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 1.162 HD13 ' O ' ' A' ' 223' ' ' ILE . 0.0 OUTLIER -56.87 -12.48 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . 0.619 ' HD2' HG23 ' A' ' 223' ' ' ILE . 2.8 mptp? -95.9 -42.12 8.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . 0.598 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 34.4 t -58.0 -80.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 226' ' ' PHE . . . . . 0.844 ' CE1' ' CE1' ' A' ' 222' ' ' TYR . 0.7 OUTLIER -112.46 110.54 52.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -30.09 7.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 340' ' ' LEU . 0.0 OUTLIER -63.69 114.35 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . 0.549 HG22 ' CZ ' ' A' ' 226' ' ' PHE . 34.0 p -133.34 -165.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . 0.767 ' HD3' ' CD1' ' A' ' 384' ' ' LEU . 3.4 mtmm -77.43 -24.45 50.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . 0.536 ' HB3' ' OD2' ' A' ' 381' ' ' ASP . . . -78.78 -41.43 30.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 232' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 235' ' ' ALA . 0.8 OUTLIER -72.05 -42.33 66.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 233' ' ' ALA . . . . . 1.081 ' HB1' HD23 ' A' ' 340' ' ' LEU . . . -64.69 -47.81 77.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.879 ' NH1' HD22 ' A' ' 237' ' ' LEU . 0.0 OUTLIER -73.13 -2.7 22.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . 0.929 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -81.25 -69.66 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.433 HG13 ' HB3' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -59.3 -38.09 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 237' ' ' LEU . . . . . 0.879 HD22 ' NH1' ' A' ' 234' ' ' ARG . 0.1 OUTLIER -57.22 -36.25 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 238' ' ' THR . . . . . 0.85 ' O ' ' N ' ' A' ' 240' ' ' LYS . 1.1 t -152.03 -39.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . 0.929 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -10.58 -48.75 0.0 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 240' ' ' LYS . . . . . 0.85 ' N ' ' O ' ' A' ' 238' ' ' THR . 0.0 OUTLIER 150.24 -87.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 240' ' ' LYS . 10.0 t 48.52 46.23 20.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 242' ' ' THR . 0.4 OUTLIER 62.25 14.5 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 243' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 240' ' ' LYS . 0.3 OUTLIER 59.46 101.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 244' ' ' LYS . . . . . 0.601 ' HG3' HG23 ' A' ' 241' ' ' THR . 0.0 OUTLIER -161.29 -81.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 245' ' ' SER . . . . . 0.6 ' CB ' ' O ' ' A' ' 244' ' ' LYS . 1.5 m 150.59 154.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . 0.683 ' C ' ' HA2' ' A' ' 346' ' ' GLY . 18.2 Cg_endo -74.99 113.88 3.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 247' ' ' PHE . . . . . 0.742 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -1.06 71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 0.964 HG23 ' CZ ' ' A' ' 347' ' ' PHE . 8.8 p -55.35 144.25 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 249' ' ' ILE . . . . . 0.7 ' O ' HG23 ' A' ' 349' ' ' THR . 0.1 OUTLIER -127.98 152.18 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 250' ' ' TYR . . . . . 0.602 ' HA ' ' CD2' ' A' ' 352' ' ' PHE . 0.4 OUTLIER 162.69 -26.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.21 141.32 28.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 252' ' ' MET . . . . . 0.434 ' HA ' HD22 ' A' ' 255' ' ' LEU . 2.2 mmm -41.59 -45.55 3.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -65.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 254' ' ' SER . . . . . . . . . . . . . 77.6 p -52.09 -57.6 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 255' ' ' LEU . . . . . 0.764 HD23 ' N ' ' A' ' 256' ' ' MET . 0.0 OUTLIER -44.33 -58.4 2.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 256' ' ' MET . . . . . 0.764 ' N ' HD23 ' A' ' 255' ' ' LEU . 0.0 OUTLIER -51.37 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 257' ' ' MET . . . . . 0.527 ' O ' ' HB2' ' A' ' 261' ' ' LYS . 38.0 mtp -36.7 -27.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 258' ' ' GLY . . . . . 0.643 ' O ' HG22 ' A' ' 262' ' ' ILE . . . -88.58 -92.48 1.08 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.529 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 1.6 tt0 -44.99 -23.07 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . 0.602 ' CB ' ' O ' ' A' ' 256' ' ' MET . 4.3 t0 -94.58 -63.17 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 261' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 257' ' ' MET . 0.3 OUTLIER -96.25 54.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 258' ' ' GLY . 0.1 OUTLIER -175.52 -34.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 264' ' ' PHE . 0.0 OUTLIER -147.26 24.27 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 264' ' ' PHE . . . . . 0.529 ' CB ' ' O ' ' A' ' 260' ' ' ASP . 0.0 OUTLIER -31.51 130.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.48 ' O ' ' CE1' ' A' ' 264' ' ' PHE . 0.0 OUTLIER -47.48 171.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -121.4 169.16 10.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.624 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 14.1 mt -55.47 116.2 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 268' ' ' THR . . . . . 1.01 HG22 ' HG ' ' A' ' 270' ' ' LEU . 0.5 OUTLIER -152.28 174.57 3.53 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . 0.817 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.4 Cg_endo -74.93 53.21 3.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 1.01 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.0 OUTLIER -86.27 -176.41 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 271' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 273' ' ' GLN . 3.5 pt20 162.52 167.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 110.264 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 273' ' ' GLN . 3.4 pt-20 -65.67 64.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 273' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 271' ' ' GLN . 0.5 OUTLIER -179.56 38.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.04 81.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.411 ' HA ' HG21 ' A' ' 279' ' ' ILE . 0.0 OUTLIER -161.95 44.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 276' ' ' GLU . . . . . 0.865 ' OE1' ' HB3' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -75.17 151.21 38.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 277' ' ' VAL . . . . . 0.697 HG12 ' CD2' ' A' ' 356' ' ' LEU . 61.4 t -39.1 -42.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . 0.865 ' HB3' ' OE1' ' A' ' 276' ' ' GLU . . . -60.69 -81.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 0.654 HD11 ' HA ' ' A' ' 465' ' ' LEU . 0.4 OUTLIER -23.55 -39.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . 0.727 ' N ' ' O ' ' A' ' 278' ' ' ALA . 7.8 mtp180 -77.53 -64.9 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 281' ' ' ILE . . . . . 1.014 HD11 ' CE2' ' A' ' 352' ' ' PHE . 0.2 OUTLIER -62.5 -43.31 98.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 282' ' ' PHE . . . . . 0.816 ' CD1' ' CE1' ' A' ' 360' ' ' PHE . 0.1 OUTLIER -49.91 -51.32 41.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 283' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 0.0 OUTLIER -58.03 -34.43 70.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 284' ' ' GLY . . . . . 0.505 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -85.49 -53.99 2.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 285' ' ' CYS . . . . . 0.634 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.7 OUTLIER -47.9 -18.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 286' ' ' GLN . . . . . 0.505 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -110.13 -27.7 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 287' ' ' PHE . . . . . 0.661 ' CE1' ' CG ' ' A' ' 291' ' ' GLU . 11.9 t80 -51.01 -31.36 17.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -22.61 64.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 12.0 t -89.3 -56.14 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 290' ' ' VAL . . . . . 0.59 HG22 ' HA ' ' A' ' 287' ' ' PHE . 2.8 m -54.05 -20.17 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . 0.661 ' CG ' ' CE1' ' A' ' 287' ' ' PHE . 29.4 mt-10 -83.05 -61.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . 0.904 ' O ' HD12 ' A' ' 296' ' ' ILE . . . -33.62 -58.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . 0.48 HG13 ' HG2' ' A' ' 294' ' ' GLN . 2.5 p -41.93 -45.29 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.598 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.0 mt-30 -71.5 -27.57 63.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 295' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.6 mt-10 -77.7 -56.97 4.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . 0.904 HD12 ' O ' ' A' ' 292' ' ' ALA . 3.6 mp -41.83 -67.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 297' ' ' THR . . . . . 0.449 ' C ' ' N ' ' A' ' 299' ' ' TYR . 0.9 OUTLIER -40.22 -63.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.39 -25.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 299' ' ' TYR . . . . . 0.87 ' CD2' ' CD1' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -103.41 -55.53 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.958 ' HB1' ' CD2' ' A' ' 306' ' ' PHE . . . -35.01 -49.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' LYS . . . . . 0.585 ' HA ' HG22 ' A' ' 307' ' ' VAL . 58.5 mttt -35.41 -8.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . 0.955 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -68.36 -50.85 50.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 303' ' ' ILE . . . . . 0.853 HG21 HD21 ' A' ' 413' ' ' LEU . 0.0 OUTLIER -58.3 127.69 81.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 16.99 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . 0.602 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -132.3 -24.71 0.76 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.958 ' CD2' ' HB1' ' A' ' 300' ' ' ALA . 12.0 t80 -58.42 -60.77 3.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 0.755 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 307' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -69.08 -20.37 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -74.03 -13.46 60.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.775 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.6 mt -68.59 -111.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 310' ' ' ASP . . . . . 0.67 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -139.71 151.84 46.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 311' ' ' LEU . 0.1 OUTLIER -53.61 -46.19 70.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . 0.863 ' O ' ' N ' ' A' ' 316' ' ' THR . 3.4 m-80 -82.35 -59.66 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' ASP . . . . . 1.047 ' OD1' HD11 ' A' ' 406' ' ' ILE . 44.5 t0 -31.92 -52.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 314' ' ' GLN . . . . . 0.684 ' HA ' HD21 ' A' ' 317' ' ' LEU . 24.0 mt-30 -59.78 -53.45 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 315' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 312' ' ' ASN . 91.2 t -71.95 -33.59 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 1.112 HG22 ' O ' ' A' ' 399' ' ' GLY . 19.2 m -65.03 -54.56 28.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 317' ' ' LEU . . . . . 0.743 ' HB3' HD22 ' A' ' 400' ' ' LEU . 4.2 pp -52.8 -47.74 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 318' ' ' LEU . . . . . 0.778 HD23 ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -63.98 -43.07 96.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.426 ' NZ ' ' O ' ' A' ' 474' ' ' LYS . 0.5 OUTLIER -51.36 -28.17 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.346 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 320' ' ' TYR . . . . . 0.416 ' O ' ' OD2' ' A' ' 396' ' ' ASP . 2.1 m-85 -122.08 3.5 9.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 321' ' ' GLY . . . . . 0.699 ' O ' HD12 ' A' ' 325' ' ' ILE . . . -115.17 -48.53 0.52 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . 1.032 HG22 ' CD1' ' A' ' 326' ' ' ILE . 4.7 p -35.43 -31.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . 1.196 ' CD2' HG21 ' A' ' 446' ' ' VAL . 0.0 OUTLIER -63.13 -57.41 10.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.563 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 324' ' ' GLU . . . . . 0.656 ' N ' ' CD2' ' A' ' 323' ' ' HIS . 80.0 mt-10 -64.16 2.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 325' ' ' ILE . . . . . 0.776 HD13 ' CD1' ' A' ' 392' ' ' ILE . 2.3 mp -110.51 -47.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' ILE . . . . . 1.032 ' CD1' HG22 ' A' ' 322' ' ' VAL . 4.9 mt -74.67 -40.37 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 1.083 ' CD2' HG22 ' A' ' 446' ' ' VAL . 9.5 m-85 -76.02 -15.53 60.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' THR . . . . . 0.904 ' HA ' HD21 ' A' ' 442' ' ' LEU . 0.7 OUTLIER -72.2 -56.8 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.453 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.579 ' N ' ' CG2' ' A' ' 328' ' ' THR . 7.8 ptp -89.47 -12.76 39.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.629 ' CB ' ' O ' ' A' ' 326' ' ' ILE . 1.6 mt -49.4 -53.66 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' ALA . . . . . 0.858 ' HB1' ' HA ' ' A' ' 371' ' ' ALA . . . -34.64 -52.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . 0.65 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 6.0 m -59.75 -45.65 91.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.917 HD13 ' HB2' ' A' ' 233' ' ' ALA . 3.7 mm? -58.72 -13.94 7.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' MET . . . . . 0.728 ' CE ' ' HB3' ' A' ' 367' ' ' LYS . 2.0 mmt -76.58 173.0 12.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' ASN . . . . . 0.761 ' HA ' HD21 ' A' ' 237' ' ' LEU . 0.1 OUTLIER -141.46 9.55 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER 80.41 -41.32 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' ASP . . . . . 0.453 ' C ' ' H ' ' A' ' 350' ' ' ARG . 0.1 OUTLIER -125.24 10.34 8.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . 0.713 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -171.21 173.41 44.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . 0.641 ' O ' ' HB2' ' A' ' 347' ' ' PHE . 3.8 p -136.44 151.54 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 1.081 HD23 ' HB1' ' A' ' 233' ' ' ALA . 0.4 OUTLIER -69.43 124.33 23.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' ILE . . . . . 0.695 HG23 ' HA ' ' A' ' 347' ' ' PHE . 1.3 pt -128.15 108.97 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . 0.603 ' CB ' ' O ' ' A' ' 341' ' ' ILE . 5.6 m 93.59 132.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.057 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 345' ' ' GLN . 12.0 mp0 -27.02 93.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 342' ' ' SER . . . 34.22 30.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 343' ' ' GLU . 0.0 OUTLIER -82.64 -70.37 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 110.316 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . 0.742 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . -130.01 -150.2 6.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 0.964 ' CZ ' HG23 ' A' ' 248' ' ' VAL . 0.1 OUTLIER -177.68 138.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.987 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.668 ' HE2' HG21 ' A' ' 249' ' ' ILE . 11.4 ttm -93.42 121.88 35.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' THR . . . . . 0.788 HG22 ' CE1' ' A' ' 347' ' ' PHE . 1.6 p -71.32 153.65 42.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.407 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . 0.88 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 7.8 ttm180 -63.83 -55.84 19.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' GLU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 0.0 OUTLIER -35.84 -25.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' PHE . . . . . 1.014 ' CE2' HD11 ' A' ' 281' ' ' ILE . 1.8 t80 -89.63 -51.47 5.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' LEU . . . . . 0.889 ' O ' ' O ' ' A' ' 361' ' ' GLY . 0.2 OUTLIER -67.19 -21.87 65.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' LYS . . . . . 0.856 ' HA ' ' O ' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -91.84 -33.62 14.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . 1.045 ' O ' HD23 ' A' ' 356' ' ' LEU . 9.2 t -70.42 73.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' LEU . . . . . 1.045 HD23 ' O ' ' A' ' 355' ' ' SER . 0.2 OUTLIER -152.3 -152.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 357' ' ' ARG . . . . . 0.656 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -69.32 153.52 43.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' LYS . . . . . 0.808 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.81 -55.45 1.23 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.808 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.4 Cg_endo -74.97 -84.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' PHE . . . . . 0.816 ' CE1' ' CD1' ' A' ' 282' ' ' PHE . 0.5 OUTLIER -63.55 32.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . 1.003 ' HA2' ' HB2' ' A' ' 356' ' ' LEU . . . -87.39 -43.34 5.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 362' ' ' ASP . . . . . 0.61 ' CA ' ' HA ' ' A' ' 354' ' ' LYS . 7.1 p-10 -148.96 96.88 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 363' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -103.25 0.06 31.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 110.983 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 364' ' ' MET . . . . . 0.537 ' HG2' ' CE1' ' A' ' 363' ' ' PHE . 0.2 OUTLIER -121.24 -5.8 9.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . 0.88 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 2.4 tp10 -65.12 -41.23 51.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -75.02 -24.96 12.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 367' ' ' LYS . . . . . 0.728 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 0.0 OUTLIER -76.5 -33.91 58.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 368' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 339' ' ' VAL . 6.7 m-30 -68.71 -53.94 19.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.23 -46.99 72.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 370' ' ' PHE . . . . . 0.838 ' CG ' HD11 ' A' ' 445' ' ' ILE . 2.1 m-85 -61.02 -38.23 85.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . 0.858 ' HA ' ' HB1' ' A' ' 331' ' ' ALA . . . -59.6 -46.19 89.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 372' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 336' ' ' LYS . 30.7 t -67.39 -9.07 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -104.14 -27.8 11.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 374' ' ' PHE . . . . . 0.635 ' CZ ' ' CG ' ' A' ' 441' ' ' ASP . 0.1 OUTLIER -92.17 -35.6 13.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . 0.4 ' C ' ' H ' ' A' ' 377' ' ' LEU . 1.0 OUTLIER -49.7 -15.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.487 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -84.98 31.19 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 0.8 OUTLIER -174.69 4.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . 0.502 ' HB3' ' HE3' ' A' ' 230' ' ' LYS . 1.8 mt-10 -78.37 134.49 37.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 1.061 HD11 ' CD1' ' A' ' 435' ' ' LEU . 0.3 OUTLIER -84.69 -148.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . 0.471 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 54.3 p30 -110.14 148.07 32.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . 0.536 ' OD2' ' HB3' ' A' ' 231' ' ' ALA . 0.5 OUTLIER -41.91 -26.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . 0.482 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 0.1 OUTLIER -60.39 -55.87 28.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . 0.497 ' OD1' ' ND2' ' A' ' 424' ' ' ASN . 3.1 m-20 -71.91 -17.64 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.767 ' CD1' ' HD3' ' A' ' 230' ' ' LYS . 6.5 mt -84.88 -49.72 8.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . 0.634 ' HA ' ' CE2' ' A' ' 222' ' ' TYR . . . -36.97 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 1.004 HG23 HD12 ' A' ' 218' ' ' LEU . 1.8 mt -92.88 -39.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 384' ' ' LEU . 26.4 t80 -41.55 -42.33 2.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 388' ' ' ILE . . . . . 0.813 HD11 HG12 ' A' ' 296' ' ' ILE . 12.7 tt -44.11 -61.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . 0.895 ' CB ' HD13 ' A' ' 413' ' ' LEU . . . -60.47 -28.23 68.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.582 ' HA ' ' CD ' ' A' ' 410' ' ' GLN . 76.4 t -69.7 -14.94 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.626 HG22 ' CD1' ' A' ' 325' ' ' ILE . 2.0 mm -119.87 5.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' ILE . . . . . 0.776 ' CD1' HD13 ' A' ' 325' ' ' ILE . 0.0 OUTLIER -116.43 -62.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.874 ' CB ' ' HG3' ' A' ' 410' ' ' GLN . 0.7 OUTLIER -65.24 24.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 392' ' ' ILE . 1.3 m -121.91 144.92 48.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 396' ' ' ASP . . . -64.63 63.47 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' ASP . . . . . 0.625 ' C ' ' HE ' ' A' ' 397' ' ' ARG . 1.0 OUTLIER -36.0 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' ARG . . . . . 0.806 ' CB ' ' CD ' ' A' ' 398' ' ' PRO . 0.0 OUTLIER -149.36 -165.16 0.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . 0.806 ' CD ' ' CB ' ' A' ' 397' ' ' ARG . 18.2 Cg_endo -75.01 40.29 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . 1.112 ' O ' HG22 ' A' ' 316' ' ' THR . . . -127.18 55.02 0.76 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.783 ' O ' HD23 ' A' ' 401' ' ' LEU . 0.2 OUTLIER -148.74 -177.4 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.783 HD23 ' O ' ' A' ' 400' ' ' LEU . 14.6 mt -125.01 -58.14 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . 0.745 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 1.8 m120 -106.66 84.39 2.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' VAL . . . . . 0.818 ' HA ' HD12 ' A' ' 406' ' ' ILE . 1.2 t -76.13 -16.75 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.708 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.5 OUTLIER -67.78 -52.75 24.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . 0.745 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -74.99 -17.83 19.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . 1.047 HD11 ' OD1' ' A' ' 313' ' ' ASP . 68.6 mt -69.04 -85.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' GLU . . . . . 0.485 ' N ' HG22 ' A' ' 406' ' ' ILE . 3.6 tt0 -49.08 -18.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . 0.708 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 16.3 m-20 -76.28 -62.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' ILE . . . . . 0.723 HG22 ' HG ' ' A' ' 393' ' ' LEU . 20.1 mm -52.6 -27.95 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . 0.874 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -71.17 -42.12 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 410' ' ' GLN . 7.4 t70 -35.34 -33.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 410' ' ' GLN . 1.6 t30 -87.29 -50.17 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.895 HD13 ' CB ' ' A' ' 389' ' ' ALA . 1.2 mt -55.92 -40.11 72.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.897 HD23 HD12 ' A' ' 417' ' ' LEU . 0.7 OUTLIER -60.66 -47.27 86.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.971 ' HB3' HD21 ' A' ' 211' ' ' LEU . 41.1 mt-30 -52.36 -66.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.547 ' HA ' ' CD1' ' A' ' 211' ' ' LEU . . . -44.85 -45.43 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 1.005 ' C ' HD22 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -49.0 -80.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' GLU . . . . . 0.903 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.2 OUTLIER -54.75 -25.33 27.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.936 HD13 ' HG ' ' A' ' 211' ' ' LEU . 0.6 OUTLIER -67.93 -77.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' GLN . . . . . 0.6 HE21 ' ND2' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -43.85 -28.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.979 HD11 HD11 ' A' ' 431' ' ' LEU . 0.0 OUTLIER -83.02 -41.37 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . 0.66 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 6.1 ttmt -78.58 8.38 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.807 HD11 ' HG ' ' A' ' 419' ' ' LEU . 17.5 mt -120.04 -43.96 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.662 ' OD1' ' CD2' ' A' ' 425' ' ' HIS . 49.4 p-10 -78.64 -12.82 60.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.662 ' CD2' ' OD1' ' A' ' 424' ' ' ASN . 28.3 p80 174.93 74.63 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.605 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.66 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.99 162.82 36.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -141.15 -85.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . 0.472 ' O ' ' CE ' ' A' ' 422' ' ' LYS . 0.1 OUTLIER -120.67 -157.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' SER . . . . . 0.46 ' C ' ' N ' ' A' ' 431' ' ' LEU . 0.6 OUTLIER -92.58 155.54 17.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 110.011 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 433' ' ' ALA . 0.0 OUTLIER 42.55 23.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.255 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . 0.979 HD11 HD11 ' A' ' 421' ' ' LEU . 0.0 OUTLIER -42.93 -27.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' PHE . . . . . 0.86 ' HB2' HD11 ' A' ' 417' ' ' LEU . 34.0 p90 -86.92 -38.95 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' ALA . . . . . 0.622 ' HA ' HD21 ' A' ' 436' ' ' LEU . . . -45.84 -27.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.522 ' CD ' ' N ' ' A' ' 435' ' ' LEU . 0.0 OUTLIER -99.45 -47.26 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' LEU . . . . . 1.061 ' CD1' HD11 ' A' ' 379' ' ' LEU . 0.3 OUTLIER -47.14 -33.95 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.622 HD21 ' HA ' ' A' ' 433' ' ' ALA . 4.2 pp -75.49 -45.76 36.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' GLN . . . . . 0.538 ' C ' ' HG3' ' A' ' 439' ' ' MET . 2.4 mt-30 -48.61 -11.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.569 ' O ' ' N ' ' A' ' 440' ' ' THR . 0.0 OUTLIER -49.39 -25.73 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' MET . . . . . 0.619 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -24.18 -44.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 438' ' ' LYS . 64.1 p -33.85 -78.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.382 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.757 ' O ' HG13 ' A' ' 445' ' ' ILE . 0.0 OUTLIER -57.75 -21.66 42.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.904 HD21 ' HA ' ' A' ' 328' ' ' THR . 0.2 OUTLIER -72.85 -73.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 439' ' ' MET . 0.1 OUTLIER -57.24 -10.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.757 ' O ' HG22 ' A' ' 447' ' ' THR . 2.3 mm100 -74.75 -71.04 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.838 HD11 ' CG ' ' A' ' 370' ' ' PHE . 0.1 OUTLIER -50.01 -29.88 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 1.196 HG21 ' CD2' ' A' ' 323' ' ' HIS . 26.3 t -67.86 -65.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 444' ' ' GLN . 9.0 t -47.74 -23.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -53.18 6.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' HIS . . . . . 0.751 ' O ' HD23 ' A' ' 453' ' ' LEU . 0.0 OUTLIER -48.63 -28.14 3.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' VAL . . . . . 0.691 ' O ' ' N ' ' A' ' 454' ' ' GLN . 34.1 t -86.53 -50.64 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' GLN . . . . . 0.573 ' O ' HG23 ' A' ' 455' ' ' VAL . 0.3 OUTLIER -42.99 -26.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.69 HD22 ' HA ' ' A' ' 359' ' ' PRO . 8.3 mt -87.69 -68.09 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.916 HD12 ' HE2' ' A' ' 457' ' ' LYS . 1.3 pp -59.9 -14.44 15.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . 0.691 ' N ' ' O ' ' A' ' 450' ' ' VAL . 2.0 tt0 -85.03 -48.87 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 451' ' ' GLN . 75.6 t -73.02 -6.0 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 1.015 ' O ' ' N ' ' A' ' 460' ' ' GLU . 1.4 tp -102.84 -61.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.916 ' HE2' HD12 ' A' ' 453' ' ' LEU . 0.1 OUTLIER -41.37 -37.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 8.8 mmmt -83.82 -41.52 17.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 459' ' ' THR . 2.2 m -124.18 43.36 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.38 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 1.015 ' N ' ' O ' ' A' ' 456' ' ' ILE . 8.6 mm-40 -41.78 131.29 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.443 ' H ' HD11 ' A' ' 456' ' ' ILE . 0.4 OUTLIER -39.96 -28.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 460' ' ' GLU . 2.0 t70 173.25 68.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 56.2 tpp 62.15 145.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 460' ' ' GLU . 46.3 t -158.5 151.7 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.902 HD23 HD13 ' A' ' 469' ' ' LEU . 0.2 OUTLIER 38.28 -117.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . 0.907 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 10.2 p80 -162.51 -175.58 0.5 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . 0.907 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.2 Cg_endo -75.01 -47.91 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.636 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 0.7 OUTLIER -44.07 -19.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.902 HD13 HD23 ' A' ' 465' ' ' LEU . 0.1 OUTLIER -87.59 -57.2 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -48.32 -27.79 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -75.36 -50.89 14.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 0.9 OUTLIER -48.18 -59.41 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' TYR . . . . . 0.534 ' CE2' ' HE3' ' A' ' 457' ' ' LYS . 1.9 t80 -55.14 -47.12 75.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . 0.426 ' O ' ' NZ ' ' A' ' 319' ' ' LYS . 1.8 mmtp -51.94 179.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -130.01 162.97 27.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 210' ' ' ASP . 6.5 tp10 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . 0.587 ' O ' ' HB3' ' A' ' 211' ' ' LEU . 5.6 m -34.08 -52.99 0.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.713 ' O ' ' CB ' ' A' ' 213' ' ' ALA . . . -48.24 -44.83 33.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' ASP . . . . . 0.615 ' N ' ' O ' ' A' ' 207' ' ' GLU . 7.6 p30 -86.45 -19.74 29.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.85 ' CB ' HD21 ' A' ' 419' ' ' LEU . 0.1 OUTLIER -46.92 -77.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . 0.666 ' NH1' HD11 ' A' ' 211' ' ' LEU . 0.0 OUTLIER -75.03 -23.23 58.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.713 ' CB ' ' O ' ' A' ' 209' ' ' ALA . . . -74.07 -78.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 218' ' ' LEU . 15.9 tp -44.22 -47.48 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 211' ' ' LEU . . . -43.85 -71.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . 0.522 ' HE2' ' CA ' ' A' ' 216' ' ' LYS . 0.0 OUTLIER -37.51 -33.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 215' ' ' ALA . 28.9 t60 -85.05 -69.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.937 HD12 ' HA ' ' A' ' 386' ' ' ILE . 0.3 OUTLIER -38.71 -50.65 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' TYR . . . . . 1.02 ' CE2' ' HA ' ' A' ' 382' ' ' SER . 10.9 m-85 -68.3 -40.04 81.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . 0.515 ' O ' ' CD ' ' A' ' 224' ' ' LYS . 3.6 m-20 -56.66 -72.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' SER . . . . . 0.7 ' OG ' ' CD1' ' A' ' 299' ' ' TYR . 78.4 p -53.67 -24.53 14.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.093 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 222' ' ' TYR . . . . . 0.86 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 29.2 t80 -77.49 -52.06 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 219' ' ' TYR . 1.3 mp -48.66 -13.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . 0.522 ' N ' ' C ' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -97.24 -47.27 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . 0.991 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 9.5 t -43.57 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 226' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.2 120.03 25.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 227' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.1 Cg_endo -75.02 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.647 HD11 ' HG ' ' A' ' 340' ' ' LEU . 0.1 OUTLIER -61.72 73.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . 0.649 HG22 ' OH ' ' A' ' 222' ' ' TYR . 7.1 p -83.08 -164.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -72.12 -28.19 63.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . 0.572 ' HB3' ' OD2' ' A' ' 381' ' ' ASP . . . -77.29 -41.57 40.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 232' ' ' LYS . . . . . 0.501 ' O ' ' CD1' ' A' ' 236' ' ' ILE . 2.1 mttm -72.99 -39.59 65.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 233' ' ' ALA . . . . . 0.552 ' HB1' HD23 ' A' ' 340' ' ' LEU . . . -67.68 -46.89 71.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.758 HH12 HD22 ' A' ' 237' ' ' LEU . 0.0 OUTLIER -75.21 -1.58 23.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . 0.938 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -82.11 -65.22 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.651 ' O ' HG21 ' A' ' 241' ' ' THR . 0.0 OUTLIER -63.41 -42.99 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 237' ' ' LEU . . . . . 0.83 ' CD1' HD21 ' A' ' 340' ' ' LEU . 0.1 OUTLIER -47.89 -26.61 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 238' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.32 -28.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.425 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . 0.938 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -86.08 60.27 4.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 240' ' ' LYS . . . . . 0.699 ' CB ' ' O ' ' A' ' 239' ' ' GLY . 0.0 OUTLIER 143.33 -156.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . 0.651 HG21 ' O ' ' A' ' 236' ' ' ILE . 1.7 t 49.64 31.09 3.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 242' ' ' THR . 0.4 OUTLIER 64.71 11.5 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 243' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 73.31 76.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 244' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 245' ' ' SER . 0.0 OUTLIER -154.28 -64.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 245' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 244' ' ' LYS . 0.9 OUTLIER 158.77 154.22 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . 0.704 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.4 Cg_endo -74.98 127.89 11.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 247' ' ' PHE . . . . . 0.726 ' HB3' ' CA ' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -7.6 73.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 0.957 HG23 ' CZ ' ' A' ' 347' ' ' PHE . 7.3 p -57.23 106.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 249' ' ' ILE . . . . . 0.59 HG21 HD11 ' A' ' 341' ' ' ILE . 0.7 OUTLIER -96.5 145.75 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 250' ' ' TYR . . . . . 0.597 ' HA ' ' CE2' ' A' ' 352' ' ' PHE . 0.1 OUTLIER 157.6 -20.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . 0.46 ' C ' ' HG ' ' A' ' 254' ' ' SER . 5.3 t70 -60.94 166.57 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 252' ' ' MET . . . . . 0.437 ' N ' ' CG ' ' A' ' 251' ' ' ASP . 16.7 ptt? -64.12 -47.16 81.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.435 ' N ' ' HG3' ' A' ' 252' ' ' MET . 0.2 OUTLIER -69.24 -43.6 73.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 254' ' ' SER . . . . . 0.46 ' HG ' ' C ' ' A' ' 251' ' ' ASP . 93.4 p -49.96 -68.76 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.938 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 255' ' ' LEU . . . . . 0.639 HD13 ' CE2' ' A' ' 352' ' ' PHE . 13.7 tp -48.31 -51.67 24.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 256' ' ' MET . . . . . 0.439 ' O ' ' HB2' ' A' ' 260' ' ' ASP . 13.8 mtp -44.3 -86.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 257' ' ' MET . . . . . 0.737 ' O ' ' N ' ' A' ' 262' ' ' ILE . 23.3 mtt -47.13 -20.15 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 258' ' ' GLY . . . . . 0.967 ' O ' ' N ' ' A' ' 261' ' ' LYS . . . -81.14 -100.23 0.36 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.569 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 58.1 tt0 -28.59 -42.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 0.739 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 258' ' ' GLY . 4.4 m-20 -70.48 -28.81 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 261' ' ' LYS . . . . . 0.967 ' N ' ' O ' ' A' ' 258' ' ' GLY . 21.4 mmmt 83.13 33.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.737 ' N ' ' O ' ' A' ' 257' ' ' MET . 1.5 mt 79.13 51.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 58.78 53.53 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 264' ' ' PHE . . . . . 0.45 ' HB3' ' HB2' ' A' ' 261' ' ' LYS . 16.9 t80 -109.04 -42.98 4.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.7 137.48 45.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.36 -172.16 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 268' ' ' THR . 48.6 mm 67.67 166.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 268' ' ' THR . . . . . 1.011 HG23 ' HD2' ' A' ' 269' ' ' PRO . 0.9 OUTLIER -137.65 154.71 75.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . 1.011 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.4 Cg_endo -75.0 46.42 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.953 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.1 OUTLIER -83.14 -94.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 271' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 270' ' ' LEU . 7.6 pt20 -37.58 132.44 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -93.94 54.8 2.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 273' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -142.43 -50.55 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . 0.48 ' C ' ' HG3' ' A' ' 275' ' ' LYS . 0.7 OUTLIER -77.99 169.34 18.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.005 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.514 ' CD ' ' N ' ' A' ' 276' ' ' GLU . 0.1 OUTLIER 39.32 -161.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.37 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 276' ' ' GLU . . . . . 0.639 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 1.0 OUTLIER 168.11 146.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 277' ' ' VAL . . . . . 0.497 ' N ' ' HG3' ' A' ' 276' ' ' GLU . 4.1 t -42.08 -43.96 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . 0.671 ' O ' ' C ' ' A' ' 279' ' ' ILE . . . -70.06 -78.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 0.792 HD11 ' N ' ' A' ' 465' ' ' LEU . 2.7 mm -13.19 -60.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -62.51 -65.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 281' ' ' ILE . . . . . 0.568 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.2 OUTLIER -59.23 -56.54 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 282' ' ' PHE . . . . . 0.822 ' CD1' ' CD2' ' A' ' 360' ' ' PHE . 79.1 t80 -42.1 -46.05 4.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 283' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 0.7 OUTLIER -60.13 -37.64 80.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.259 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 284' ' ' GLY . . . . . 0.454 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -83.13 -55.34 2.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 285' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.5 OUTLIER -53.56 -15.84 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 286' ' ' GLN . . . . . 0.454 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.2 OUTLIER -108.93 -26.09 10.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 287' ' ' PHE . . . . . 0.682 ' O ' HG22 ' A' ' 290' ' ' VAL . 54.5 t80 -47.56 -48.01 28.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -22.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 289' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 287' ' ' PHE . 2.8 t -84.06 -55.31 4.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 290' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.7 m -49.76 -25.86 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' A' ' 294' ' ' GLN . 51.6 mt-10 -76.91 -60.41 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . 0.883 ' O ' HD12 ' A' ' 296' ' ' ILE . . . -34.59 -56.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . 79.8 t -39.81 -44.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.6 -26.86 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.257 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 295' ' ' GLU . . . . . 0.635 ' N ' ' O ' ' A' ' 292' ' ' ALA . 7.5 mt-10 -76.56 -49.4 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . 0.883 HD12 ' O ' ' A' ' 292' ' ' ALA . 3.9 mp -50.04 -68.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.362 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 297' ' ' THR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -36.49 -63.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.406 ' N ' HG22 ' A' ' 297' ' ' THR . 0.2 OUTLIER -44.01 -26.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 299' ' ' TYR . . . . . 0.991 ' HB2' ' HB2' ' A' ' 225' ' ' SER . 1.0 OUTLIER -106.34 -32.91 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 110.966 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.778 ' N ' ' O ' ' A' ' 296' ' ' ILE . . . -59.82 -58.92 6.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' LYS . . . . . 0.688 ' HA ' HG22 ' A' ' 307' ' ' VAL . 82.6 mttt -49.81 -5.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . 0.674 ' HB3' ' O ' ' A' ' 299' ' ' TYR . 6.6 p -68.69 -52.47 30.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 303' ' ' ILE . . . . . 0.775 HG13 ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -51.44 129.77 33.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 304' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.3 Cg_endo -74.99 15.76 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . 0.551 ' HA3' HD12 ' A' ' 409' ' ' ILE . . . -131.16 -23.1 0.95 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.735 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 79.1 t80 -64.63 -53.86 40.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 307' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -70.24 -18.79 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -77.67 -12.73 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.746 ' HB2' ' HG3' ' A' ' 314' ' ' GLN . 5.4 mt -69.7 -110.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 310' ' ' ASP . . . . . 0.842 ' CG ' HD12 ' A' ' 401' ' ' LEU . 8.5 t70 -150.71 155.58 39.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 315' ' ' VAL . 0.2 OUTLIER -53.92 -48.98 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . 0.958 ' HB2' HD11 ' A' ' 401' ' ' LEU . 64.5 m-80 -80.84 -54.72 5.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' ASP . . . . . 1.11 ' OD2' HD11 ' A' ' 406' ' ' ILE . 34.3 t0 -40.2 -47.49 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 314' ' ' GLN . . . . . 0.746 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 19.4 mt-30 -61.88 -51.34 68.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 315' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 311' ' ' LEU . 75.4 t -61.35 -47.6 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.843 HG21 ' C ' ' A' ' 399' ' ' GLY . 24.9 m -43.75 -65.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.384 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 317' ' ' LEU . . . . . 0.732 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -46.22 -51.75 13.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 318' ' ' LEU . . . . . 1.053 HD23 HG22 ' A' ' 322' ' ' VAL . 0.3 OUTLIER -56.8 -53.13 61.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 318' ' ' LEU . 0.7 OUTLIER -35.24 -41.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 320' ' ' TYR . . . . . 0.502 ' CB ' ' HG3' ' A' ' 397' ' ' ARG . 0.1 OUTLIER -118.95 6.51 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 321' ' ' GLY . . . . . 0.732 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -103.73 -50.71 1.01 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . 1.053 HG22 HD23 ' A' ' 318' ' ' LEU . 4.0 t -44.84 -25.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . 0.542 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 23.8 m170 -70.82 -49.4 46.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 324' ' ' GLU . . . . . 0.977 ' HA ' HD12 ' A' ' 442' ' ' LEU . 7.6 mt-10 -72.03 2.81 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 325' ' ' ILE . . . . . 1.025 HD12 HG22 ' A' ' 391' ' ' ILE . 0.7 OUTLIER -106.56 -46.79 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' ILE . . . . . 0.766 HD11 HG12 ' A' ' 322' ' ' VAL . 15.1 mt -77.03 -38.27 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.723 ' HD2' HG22 ' A' ' 446' ' ' VAL . 5.7 m-30 -76.94 -26.09 53.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' THR . . . . . 0.923 ' HA ' HD21 ' A' ' 442' ' ' LEU . 3.9 t -71.38 -57.78 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.585 ' N ' ' CG2' ' A' ' 328' ' ' THR . 17.2 ptt? -74.81 -25.08 58.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.687 ' O ' ' HG2' ' A' ' 334' ' ' MET . 1.3 mt -47.51 -56.72 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' ALA . . . . . 0.941 ' HA ' ' HB2' ' A' ' 371' ' ' ALA . . . -31.58 -57.35 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . 0.697 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 64.1 m -56.58 -46.59 80.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.837 ' N ' HD23 ' A' ' 333' ' ' LEU . 0.6 OUTLIER -64.8 -13.52 55.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' MET . . . . . 0.687 ' HG2' ' O ' ' A' ' 330' ' ' LEU . 2.5 mmt -76.23 173.23 11.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' ASN . . . . . 0.686 ' HB2' HD21 ' A' ' 237' ' ' LEU . 0.1 OUTLIER -140.96 8.81 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER 81.65 -41.37 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' A' ' 349' ' ' THR . 0.3 OUTLIER -126.63 10.53 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . 0.676 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -171.3 174.04 44.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 341' ' ' ILE . 2.7 p -143.37 154.56 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 0.83 HD21 ' CD1' ' A' ' 237' ' ' LEU . 1.2 mm? -65.68 121.96 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' ILE . . . . . 0.866 HD13 ' C ' ' A' ' 341' ' ' ILE . 0.0 OUTLIER -154.69 177.88 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . 0.436 ' N ' HG12 ' A' ' 341' ' ' ILE . 69.0 m 65.69 120.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.25 -18.71 39.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 345' ' ' GLN . . . -67.93 -7.81 50.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 344' ' ' GLY . 1.1 tt0 84.15 63.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . 0.726 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . -132.27 -150.86 6.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.437 1.086 . . . . 0.0 110.962 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 0.957 ' CZ ' HG23 ' A' ' 248' ' ' VAL . 0.2 OUTLIER -170.29 123.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 110.973 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.68 ' N ' HD12 ' A' ' 341' ' ' ILE . 2.2 mtp -81.4 115.4 20.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' THR . . . . . 0.676 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 2.2 p -61.1 150.25 34.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.391 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . 0.864 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 8.9 ttm180 -65.31 -53.16 47.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 355' ' ' SER . 11.3 pt-20 -41.88 -22.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' PHE . . . . . 0.639 ' CE2' HD13 ' A' ' 255' ' ' LEU . 1.0 OUTLIER -88.77 -67.2 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' LEU . . . . . 0.805 ' O ' HD21 ' A' ' 356' ' ' LEU . 0.4 OUTLIER -50.13 -51.94 39.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' LYS . . . . . 0.596 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.0 OUTLIER -61.84 -37.85 86.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . 0.914 ' O ' HD23 ' A' ' 356' ' ' LEU . 0.6 OUTLIER -53.61 80.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' LEU . . . . . 0.914 HD23 ' O ' ' A' ' 355' ' ' SER . 0.0 OUTLIER 177.38 -161.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 357' ' ' ARG . . . . . 0.639 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.0 OUTLIER -30.68 145.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' LYS . . . . . 0.85 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -44.48 -57.97 5.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.85 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.06 -75.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' PHE . . . . . 0.87 ' CE1' HD12 ' A' ' 456' ' ' ILE . 13.6 m-85 -46.78 -16.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . 0.641 ' HA2' HD12 ' A' ' 356' ' ' LEU . . . -101.07 38.57 3.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.43 1.082 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 362' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 362' ' ' ASP . 0.5 OUTLIER 178.52 55.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 0.772 . . . . 0.0 109.356 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 363' ' ' PHE . . . . . 0.534 ' CE1' ' HA ' ' A' ' 360' ' ' PHE . 3.9 m-85 -104.34 -11.41 17.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 364' ' ' MET . . . . . 0.781 ' HB2' HD13 ' A' ' 353' ' ' LEU . 0.0 OUTLIER -120.34 -5.82 9.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . 0.864 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 4.3 tp10 -67.44 -38.74 16.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.2 Cg_endo -75.0 -26.4 10.95 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 367' ' ' LYS . . . . . 0.649 ' HB2' ' CE ' ' A' ' 334' ' ' MET . 15.2 mttp -75.48 -49.29 19.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 368' ' ' PHE . . . . . 0.755 ' CE2' ' HB2' ' A' ' 350' ' ' ARG . 5.0 m-30 -56.08 -47.77 77.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . 1.02 ' O ' HG12 ' A' ' 372' ' ' VAL . 0.8 OUTLIER -59.58 -46.56 88.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 370' ' ' PHE . . . . . 0.906 ' CE2' ' HB2' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -61.53 -31.71 71.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . 0.941 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -66.4 -51.8 53.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 372' ' ' VAL . . . . . 1.02 HG12 ' O ' ' A' ' 369' ' ' GLU . 3.5 p -50.99 -20.18 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -99.99 -25.03 14.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 374' ' ' PHE . . . . . 0.662 ' CZ ' HD23 ' A' ' 442' ' ' LEU . 0.1 OUTLIER -84.81 -40.45 17.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 371' ' ' ALA . 4.8 m120 -57.02 -14.09 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -89.02 32.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.616 HD11 ' HG2' ' A' ' 438' ' ' LYS . 1.2 pp -169.56 5.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . 0.886 ' C ' HD22 ' A' ' 379' ' ' LEU . 3.1 mm-40 -69.07 162.34 27.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.886 HD22 ' C ' ' A' ' 378' ' ' GLU . 3.6 mm? -134.35 -101.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . 0.911 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 3.2 p30 -139.52 153.3 47.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . 0.572 ' OD2' ' HB3' ' A' ' 231' ' ' ALA . 62.3 m-20 -53.43 -11.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . 1.02 ' HA ' ' CE2' ' A' ' 219' ' ' TYR . 0.3 OUTLIER -72.67 -68.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.04 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . 0.476 ' OD1' ' ND2' ' A' ' 424' ' ' ASN . 0.7 OUTLIER -57.63 -24.04 54.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.919 ' O ' ' HD1' ' A' ' 387' ' ' PHE . 10.2 mt -80.18 -67.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . 0.605 ' C ' ' O ' ' A' ' 384' ' ' LEU . . . -23.01 -38.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.937 ' HA ' HD12 ' A' ' 218' ' ' LEU . 5.7 mt -81.69 -54.93 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . 0.919 ' HD1' ' O ' ' A' ' 384' ' ' LEU . 0.1 OUTLIER -37.8 -26.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 388' ' ' ILE . . . . . 0.805 ' N ' ' CD1' ' A' ' 387' ' ' PHE . 0.0 OUTLIER -59.57 -55.01 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . 1.035 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -60.43 -37.7 81.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.714 ' O ' ' NE2' ' A' ' 410' ' ' GLN . 7.0 t -61.24 -13.84 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 1.025 HG22 HD12 ' A' ' 325' ' ' ILE . 19.8 mm -107.44 -18.94 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' ILE . . . . . 0.972 HG22 HD23 ' A' ' 393' ' ' LEU . 91.4 mt -69.79 -76.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.972 HD23 HG22 ' A' ' 392' ' ' ILE . 0.0 OUTLIER -64.29 91.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 396' ' ' ASP . 51.9 m -110.48 81.21 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' GLY . . . . . 0.723 ' HA2' HG22 ' A' ' 403' ' ' VAL . . . -59.33 72.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 394' ' ' SER . 5.6 p-10 -177.77 -22.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' ARG . . . . . 0.51 ' NH2' ' OG ' ' A' ' 394' ' ' SER . 0.0 OUTLIER -49.6 147.59 5.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.29 8.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . 0.843 ' C ' HG21 ' A' ' 316' ' ' THR . . . 93.02 36.28 6.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.757 HD13 HG22 ' A' ' 403' ' ' VAL . 15.7 mt -92.45 150.98 20.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.958 HD11 ' HB2' ' A' ' 312' ' ' ASN . 15.5 mt -100.78 -73.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . 1.279 ' O ' ' CD1' ' A' ' 406' ' ' ILE . 4.3 m120 -105.71 79.54 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' VAL . . . . . 0.969 ' HA ' HD13 ' A' ' 406' ' ' ILE . 0.9 OUTLIER -67.72 -3.95 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.664 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 6.2 mtmt -77.53 -45.01 2.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . 1.266 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -20.18 17.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . 1.279 ' CD1' ' O ' ' A' ' 402' ' ' ASN . 4.0 mp -72.2 -56.82 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.74 -10.33 59.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . 0.664 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 59.7 m-20 -87.64 -45.88 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' ILE . . . . . 0.894 HG22 HD11 ' A' ' 393' ' ' LEU . 33.6 mm -72.67 -27.7 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . 0.813 ' HG2' HD12 ' A' ' 413' ' ' LEU . 0.0 OUTLIER -77.56 -38.34 48.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.37 -25.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.83 -50.35 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 1.035 HD13 ' HB1' ' A' ' 389' ' ' ALA . 2.3 mt -52.91 -41.67 64.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.843 HD21 HD22 ' A' ' 436' ' ' LEU . 0.1 OUTLIER -62.02 -49.54 75.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.525 ' O ' ' HB3' ' A' ' 419' ' ' LEU . 45.3 mt-30 -48.72 -51.87 26.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.673 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -55.1 -50.22 69.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 1.007 ' C ' HD22 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -43.56 -78.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' GLU . . . . . 0.923 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -53.68 -24.33 14.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.85 HD21 ' CB ' ' A' ' 211' ' ' LEU . 0.0 OUTLIER -67.49 -81.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' GLN . . . . . 0.659 ' O ' ' CG ' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -56.46 -11.95 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.595 HD11 ' CD1' ' A' ' 435' ' ' LEU . 0.5 OUTLIER -88.52 -57.26 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 0.0 OUTLIER -80.83 15.33 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.834 HD12 ' HG ' ' A' ' 419' ' ' LEU . 28.4 mt -125.89 -32.94 2.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.659 ' CG ' ' O ' ' A' ' 420' ' ' GLN . 31.6 p-10 -92.85 -11.78 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.505 ' CG ' ' OD1' ' A' ' 424' ' ' ASN . 3.5 p80 177.34 67.4 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.639 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.557 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.1 Cg_endo -75.05 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 0.0 110.979 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.01 -76.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . 0.45 ' HB2' HD23 ' A' ' 431' ' ' LEU . 0.1 OUTLIER -80.94 -170.65 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.997 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' SER . . . . . 0.406 ' HB2' ' NE2' ' A' ' 430' ' ' GLN . 37.5 m -92.62 -36.11 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' GLN . . . . . 0.656 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -126.91 24.37 6.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 431' ' ' LEU . 1.7 tm? -38.53 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' PHE . . . . . 0.739 ' CD1' HD23 ' A' ' 436' ' ' LEU . 0.1 OUTLIER -85.29 -47.85 9.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 430' ' ' GLN . . . -41.57 -27.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.552 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.0 OUTLIER -97.25 -49.18 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' LEU . . . . . 0.595 ' CD1' HD11 ' A' ' 421' ' ' LEU . 0.5 OUTLIER -39.02 -39.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.843 HD22 HD21 ' A' ' 414' ' ' LEU . 1.9 pp -75.18 -47.34 28.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' GLN . . . . . 0.599 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 1.3 mm100 -46.14 -14.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.616 ' HG2' HD11 ' A' ' 377' ' ' LEU . 0.0 OUTLIER -47.1 -29.78 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' MET . . . . . 0.66 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.36 -43.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.2 OUTLIER -34.3 -76.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.589 ' O ' HG13 ' A' ' 445' ' ' ILE . 28.6 m-20 -52.08 -25.91 9.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.977 HD12 ' HA ' ' A' ' 324' ' ' GLU . 0.5 OUTLIER -76.42 -75.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . 0.66 ' N ' ' O ' ' A' ' 439' ' ' MET . 18.3 ttt180 -52.63 -19.67 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.635 ' O ' HG22 ' A' ' 447' ' ' THR . 31.6 mm-40 -72.16 -68.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.691 HD11 ' HB2' ' A' ' 370' ' ' PHE . 0.9 OUTLIER -45.63 -28.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 442' ' ' LEU . 41.3 t -65.72 -73.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 444' ' ' GLN . 5.0 t -42.14 -26.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 446' ' ' VAL . 10.1 mm-40 -86.85 -55.55 3.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' HIS . . . . . 0.469 ' CD2' ' HE3' ' A' ' 367' ' ' LYS . 60.1 t-80 -51.37 -19.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.528 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' VAL . . . . . 1.055 ' HA ' HD12 ' A' ' 453' ' ' LEU . 4.0 t -92.79 -48.07 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' GLN . . . . . 0.417 ' O ' ' CG2' ' A' ' 455' ' ' VAL . 15.7 mt-30 -52.24 -19.99 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.558 HD12 ' CB ' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -94.39 -56.79 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 1.055 HD12 ' HA ' ' A' ' 450' ' ' VAL . 0.0 OUTLIER -69.78 -12.83 61.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . 0.945 ' N ' HD13 ' A' ' 453' ' ' LEU . 2.5 tt0 -92.99 -42.23 9.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.463 ' O ' ' HB ' ' A' ' 459' ' ' THR . 4.1 t -68.17 -17.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.87 HD12 ' CE1' ' A' ' 360' ' ' PHE . 10.5 pt -98.91 -48.81 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.778 ' HG3' HD22 ' A' ' 453' ' ' LEU . 0.3 OUTLIER -54.67 -19.09 5.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -110.86 -22.99 11.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 459' ' ' THR . 1.3 m -146.98 53.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.382 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.715 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.3 OUTLIER -57.4 170.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -63.2 -26.22 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.7 OUTLIER 170.57 53.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 4.3 ttm 59.79 156.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 13.4 t -178.16 153.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 1.115 HD23 HD13 ' A' ' 469' ' ' LEU . 0.2 OUTLIER 72.35 -124.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . 1.011 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 11.0 p80 -159.7 -174.79 0.45 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.563 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . 1.011 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.99 -44.43 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 2.9 mt -43.51 -19.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 1.115 HD13 HD23 ' A' ' 465' ' ' LEU . 0.0 OUTLIER -91.55 -51.32 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.462 ' HB2' ' HZ3' ' A' ' 457' ' ' LYS . 0.9 OUTLIER -58.35 -29.69 66.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -74.0 -68.45 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . 0.766 HD12 ' N ' ' A' ' 473' ' ' TYR . 2.3 pp -42.11 -60.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' TYR . . . . . 0.766 ' N ' HD12 ' A' ' 472' ' ' ILE . 1.4 t80 -47.0 -51.93 16.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 474' ' ' LYS . 0.7 OUTLIER -46.32 169.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.33 154.2 29.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 211' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 211' ' ' LEU . 54.1 m -66.48 -66.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.611 ' O ' ' HB2' ' A' ' 213' ' ' ALA . . . -51.22 -17.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' ASP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 0.0 OUTLIER -97.65 -27.62 14.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.978 HD12 HD22 ' A' ' 419' ' ' LEU . 0.1 OUTLIER -60.69 -53.46 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . 0.469 ' NH1' ' HA ' ' A' ' 420' ' ' GLN . 2.3 tpm_? -77.91 -28.58 49.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 209' ' ' ALA . . . -71.17 -55.59 7.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . 0.643 ' HG ' HD13 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -50.79 -44.45 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -48.22 -59.75 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -47.12 -33.05 4.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 68.1 t60 -73.25 -73.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.595 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 1.014 HD21 HD22 ' A' ' 413' ' ' LEU . 7.7 mp -37.89 -58.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' TYR . . . . . 1.008 ' CE1' HD13 ' A' ' 223' ' ' ILE . 92.8 t80 -58.14 -40.49 81.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 216' ' ' LYS . 2.4 m-20 -58.41 -63.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' SER . . . . . 1.263 ' O ' ' CD2' ' A' ' 299' ' ' TYR . 0.0 OUTLIER -71.21 6.75 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.032 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 222' ' ' TYR . . . . . 0.894 ' HB2' ' O ' ' A' ' 218' ' ' LEU . 0.1 OUTLIER -113.72 -54.06 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 1.008 HD13 ' CE1' ' A' ' 219' ' ' TYR . 1.4 tp -48.47 -19.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . 0.893 ' HB2' ' CE2' ' A' ' 299' ' ' TYR . 0.7 OUTLIER -94.92 -44.51 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . 0.714 ' HB2' ' HD2' ' A' ' 299' ' ' TYR . 33.3 t -38.41 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 226' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.88 122.09 86.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.4 2.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.529 HD12 HD12 ' A' ' 333' ' ' LEU . 0.2 OUTLIER -95.14 117.56 30.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . 0.633 ' CA ' HD11 ' A' ' 333' ' ' LEU . 55.6 p -131.76 -165.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . 0.537 ' CG ' ' HB2' ' A' ' 332' ' ' SER . 0.0 OUTLIER -77.93 -37.28 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . 1.127 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -70.62 -20.51 62.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 232' ' ' LYS . . . . . 0.408 ' HG3' ' OG1' ' A' ' 229' ' ' THR . 0.6 OUTLIER -102.06 -39.6 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 233' ' ' ALA . . . . . 0.94 ' HB2' HD12 ' A' ' 333' ' ' LEU . . . -66.85 -53.97 27.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.902 ' NH1' HD22 ' A' ' 237' ' ' LEU . 0.2 OUTLIER -75.59 -15.08 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . 1.127 ' HB2' ' O ' ' A' ' 231' ' ' ALA . . . -60.84 -59.61 5.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.877 HD12 ' HB3' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -73.04 -39.16 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 237' ' ' LEU . . . . . 0.924 HD13 HD21 ' A' ' 340' ' ' LEU . 0.7 OUTLIER -52.45 -17.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 238' ' ' THR . . . . . 0.735 HG22 ' C ' ' A' ' 237' ' ' LEU . 0.1 OUTLIER 162.61 -10.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . 0.809 ' C ' ' O ' ' A' ' 235' ' ' ALA . . . -89.79 57.69 3.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 240' ' ' LYS . . . . . 0.792 ' HD2' ' N ' ' A' ' 240' ' ' LYS . 0.0 OUTLIER 130.22 -144.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . 0.552 ' CG2' ' HA ' ' A' ' 236' ' ' ILE . 0.0 OUTLIER 46.21 27.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 242' ' ' THR . 0.4 OUTLIER 60.4 12.35 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 243' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 242' ' ' THR . 0.2 OUTLIER 75.47 78.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 244' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 245' ' ' SER . 0.1 OUTLIER -141.68 -72.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 245' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 244' ' ' LYS . 0.8 OUTLIER 154.55 156.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.038 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . 0.877 ' HB3' HD12 ' A' ' 236' ' ' ILE . 18.3 Cg_endo -75.02 165.92 30.27 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 247' ' ' PHE . . . . . 0.655 ' N ' ' HA2' ' A' ' 346' ' ' GLY . 0.1 OUTLIER -46.85 67.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 1.091 HG23 ' CZ ' ' A' ' 347' ' ' PHE . 15.0 p -43.31 147.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 249' ' ' ILE . . . . . 0.626 HG22 ' O ' ' A' ' 249' ' ' ILE . 0.4 OUTLIER -130.56 101.39 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 250' ' ' TYR . . . . . 0.565 ' HA ' ' CE1' ' A' ' 352' ' ' PHE . 0.0 OUTLIER -175.19 -33.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . 0.493 ' OD2' ' N ' ' A' ' 253' ' ' ASN . 0.0 OUTLIER -75.93 162.03 28.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 252' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 253' ' ' ASN . 0.0 OUTLIER -45.67 -70.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.042 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.493 ' N ' ' OD2' ' A' ' 251' ' ' ASP . 0.9 OUTLIER -38.92 -58.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 254' ' ' SER . . . . . . . . . . . . . 53.0 p -53.97 -61.33 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 255' ' ' LEU . . . . . 0.866 HD13 ' N ' ' A' ' 256' ' ' MET . 0.7 OUTLIER -47.55 -69.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 256' ' ' MET . . . . . 0.866 ' N ' HD13 ' A' ' 255' ' ' LEU . 0.1 OUTLIER -40.0 -76.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 257' ' ' MET . . . . . 0.647 ' O ' ' N ' ' A' ' 261' ' ' LYS . 48.1 mtm -42.21 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 258' ' ' GLY . . . . . 0.691 ' O ' ' N ' ' A' ' 261' ' ' LYS . . . -30.99 -76.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.531 ' OE2' ' NE ' ' A' ' 280' ' ' ARG . 0.4 OUTLIER -43.23 -38.55 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 261' ' ' LYS . 0.4 OUTLIER -80.68 -15.38 56.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 261' ' ' LYS . . . . . 0.691 ' N ' ' O ' ' A' ' 258' ' ' GLY . 16.3 mmmt 92.77 56.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.463 ' O ' ' CG ' ' A' ' 257' ' ' MET . 2.1 mt 76.06 -51.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -175.86 43.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 264' ' ' PHE . . . . . 0.514 ' CB ' ' HB2' ' A' ' 261' ' ' LYS . 0.3 OUTLIER -120.05 -168.57 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 266' ' ' HIS . 7.7 ttmm -115.84 44.09 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 266' ' ' HIS . . . . . 0.587 ' CD2' ' HD3' ' A' ' 261' ' ' LYS . 2.2 t-160 39.4 72.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.593 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.635 HG22 ' N ' ' A' ' 268' ' ' THR . 1.6 mp 62.83 -82.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 268' ' ' THR . . . . . 0.983 HG22 ' HG ' ' A' ' 270' ' ' LEU . 0.5 OUTLIER -143.6 175.45 2.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.397 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . 0.85 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.1 Cg_endo -75.05 51.51 2.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.983 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.0 OUTLIER -78.75 -86.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 271' ' ' GLN . . . . . 0.5 ' C ' ' O ' ' A' ' 270' ' ' LEU . 11.9 pt20 -29.9 108.83 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.65 88.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.305 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 273' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 68.66 -75.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 275' ' ' LYS . 80.3 p -162.69 76.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 274' ' ' SER . 0.0 OUTLIER -37.96 -63.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 276' ' ' GLU . . . . . 0.718 ' HG2' ' HB3' ' A' ' 278' ' ' ALA . 1.9 tt0 -162.25 143.86 10.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 277' ' ' VAL . . . . . 0.599 ' O ' HD22 ' A' ' 356' ' ' LEU . 3.3 t -64.99 -11.94 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . 0.825 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -90.2 -63.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 0.68 HD11 ' HA ' ' A' ' 465' ' ' LEU . 0.5 OUTLIER -36.78 -36.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . 0.706 ' NE ' HD12 ' A' ' 281' ' ' ILE . 2.9 ptt180 -77.76 -51.5 10.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 281' ' ' ILE . . . . . 0.748 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.1 OUTLIER -78.14 -49.85 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 282' ' ' PHE . . . . . 0.825 ' N ' ' O ' ' A' ' 278' ' ' ALA . 2.7 t80 -48.79 -44.61 39.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 283' ' ' GLN . . . . . 0.542 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 29.6 mt-30 -69.33 -37.64 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 284' ' ' GLY . . . . . 0.461 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -82.81 -57.13 2.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 285' ' ' CYS . . . . . 0.748 ' N ' ' O ' ' A' ' 281' ' ' ILE . 11.2 m -52.96 -17.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 286' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 58.2 tp60 -106.3 -25.12 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 287' ' ' PHE . . . . . 0.572 ' CD2' ' OE1' ' A' ' 291' ' ' GLU . 12.8 t80 -52.93 -31.46 40.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -61.29 -22.2 64.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 289' ' ' SER . . . . . 1.002 ' HA ' HG21 ' A' ' 326' ' ' ILE . 26.3 t -88.04 -57.18 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.037 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 290' ' ' VAL . . . . . 0.483 ' O ' ' HG3' ' A' ' 294' ' ' GLN . 2.8 m -51.75 -26.83 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . 0.572 ' OE1' ' CD2' ' A' ' 287' ' ' PHE . 28.9 mt-10 -77.06 -63.25 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . 0.905 ' HB3' HG12 ' A' ' 326' ' ' ILE . . . -34.2 -58.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . 0.93 HG13 HG11 ' A' ' 322' ' ' VAL . 18.3 t -41.52 -46.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.07 -28.76 60.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 295' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.5 mm-40 -71.23 -53.59 13.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . 0.96 ' O ' ' N ' ' A' ' 300' ' ' ALA . 1.7 mp -55.41 -78.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 297' ' ' THR . . . . . 0.759 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 1.0 OUTLIER -31.58 -70.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.457 ' N ' HG22 ' A' ' 297' ' ' THR . 1.2 mm-40 -34.94 -31.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 299' ' ' TYR . . . . . 1.263 ' CD2' ' O ' ' A' ' 221' ' ' SER . 0.5 OUTLIER -116.37 -24.96 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 1.116 ' O ' ' N ' ' A' ' 302' ' ' SER . . . -51.44 -53.59 35.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' LYS . . . . . 0.516 ' HA ' HG22 ' A' ' 307' ' ' VAL . 14.9 mttm -33.59 -2.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . 1.116 ' N ' ' O ' ' A' ' 300' ' ' ALA . 0.0 OUTLIER -61.68 -55.69 27.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.027 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 303' ' ' ILE . . . . . 0.892 HG23 HD11 ' A' ' 218' ' ' LEU . 0.0 OUTLIER -46.3 126.25 7.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 304' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 303' ' ' ILE . 18.3 Cg_endo -74.99 14.58 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . 0.556 ' O ' ' CD2' ' A' ' 309' ' ' LEU . . . -129.0 -23.02 1.19 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.843 ' HE1' HD11 ' A' ' 317' ' ' LEU . 0.6 OUTLIER -65.04 -56.3 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.79 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 307' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -69.17 -19.8 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.0 -15.56 61.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.8 mt -69.52 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 310' ' ' ASP . . . . . 0.719 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.2 t70 -141.66 149.43 40.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . 0.515 HD12 ' ND2' ' A' ' 312' ' ' ASN . 0.2 OUTLIER -54.16 -46.8 72.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . 0.678 ' HB2' HD11 ' A' ' 401' ' ' LEU . 1.9 m-80 -80.53 -57.31 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' ASP . . . . . 0.799 ' H ' HD12 ' A' ' 401' ' ' LEU . 23.2 t0 -39.66 -48.94 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 314' ' ' GLN . . . . . 0.579 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 25.7 mt-30 -56.81 -54.77 42.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.54 -32.53 58.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.794 HG21 ' HA ' ' A' ' 400' ' ' LEU . 0.9 OUTLIER -57.98 -65.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.392 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 317' ' ' LEU . . . . . 0.883 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -45.13 -44.12 10.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 318' ' ' LEU . . . . . 0.981 HD23 HG12 ' A' ' 322' ' ' VAL . 0.2 OUTLIER -57.81 -58.02 10.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 474' ' ' LYS . 0.0 OUTLIER -39.09 -40.9 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 320' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -112.51 4.04 17.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 321' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -108.82 -50.97 0.71 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . 0.981 HG12 HD23 ' A' ' 318' ' ' LEU . 3.9 m -37.35 -31.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . 1.087 ' CD2' HG21 ' A' ' 446' ' ' VAL . 0.0 OUTLIER -61.27 -60.77 3.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.63 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 324' ' ' GLU . . . . . 0.907 ' HA ' HD12 ' A' ' 442' ' ' LEU . 4.2 mp0 -66.73 1.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 325' ' ' ILE . . . . . 0.954 HD12 HG22 ' A' ' 391' ' ' ILE . 1.0 OUTLIER -100.62 -58.79 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' ILE . . . . . 1.002 HG21 ' HA ' ' A' ' 289' ' ' SER . 1.5 mt -60.54 -43.06 93.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.925 ' CD2' HG22 ' A' ' 446' ' ' VAL . 29.3 m-85 -76.54 -19.92 57.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' THR . . . . . 0.704 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 0.6 OUTLIER -58.02 -58.71 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.599 ' N ' ' CG2' ' A' ' 328' ' ' THR . 5.0 ptt? -93.55 -20.66 20.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.736 ' HB2' ' HA ' ' A' ' 327' ' ' TYR . 1.8 mt -38.64 -54.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' ALA . . . . . 0.805 ' HA ' ' HB2' ' A' ' 371' ' ' ALA . . . -38.67 -45.75 1.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . 0.67 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -57.35 -47.04 82.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.996 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.94 HD12 ' HB2' ' A' ' 233' ' ' ALA . 0.2 OUTLIER -71.98 24.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' MET . . . . . 0.701 ' CG ' ' HA ' ' A' ' 368' ' ' PHE . 4.9 mmt -109.6 172.93 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' ASN . . . . . 0.793 ' O ' ' CD1' ' A' ' 368' ' ' PHE . 2.1 t-20 -139.52 172.58 12.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' LYS . . . . . 0.783 ' H ' ' ND2' ' A' ' 335' ' ' ASN . 0.1 OUTLIER -62.89 -50.56 70.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' ASP . . . . . 0.533 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 5.9 m-20 -125.65 36.05 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . 0.725 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -173.7 -172.97 39.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . 0.815 HG13 HD11 ' A' ' 353' ' ' LEU . 1.0 OUTLIER -146.99 128.43 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 0.924 HD21 HD13 ' A' ' 237' ' ' LEU . 3.6 mm? -53.24 128.86 29.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' ILE . . . . . 0.914 HG23 ' HA ' ' A' ' 347' ' ' PHE . 0.7 OUTLIER -125.25 114.02 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 3.7 t -50.88 -39.5 54.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.73 98.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 89.57 -5.64 83.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 247' ' ' PHE . 5.1 mp0 64.55 53.87 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . 0.655 ' HA2' ' N ' ' A' ' 247' ' ' PHE . . . -132.5 -126.64 2.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 1.091 ' CZ ' HG23 ' A' ' 248' ' ' VAL . 0.5 OUTLIER -177.45 142.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 110.989 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.512 ' HB2' HG21 ' A' ' 341' ' ' ILE . 21.6 ttm -94.69 116.51 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' THR . . . . . 0.725 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.0 p -63.7 155.55 29.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . 0.723 ' HA ' HD12 ' A' ' 353' ' ' LEU . 30.3 ttm180 -57.07 -53.66 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' GLU . . . . . 0.58 ' O ' ' HB2' ' A' ' 355' ' ' SER . 2.9 pt-20 -42.63 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 250' ' ' TYR . 0.1 OUTLIER -86.92 -54.67 4.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' LEU . . . . . 0.815 HD11 HG13 ' A' ' 339' ' ' VAL . 0.7 OUTLIER -53.74 -53.08 57.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' LYS . . . . . 0.681 ' O ' ' N ' ' A' ' 356' ' ' LEU . 5.2 mtpm? -64.79 -36.27 83.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . 0.975 ' O ' HD23 ' A' ' 356' ' ' LEU . 0.4 OUTLIER -59.31 63.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' LEU . . . . . 0.975 HD23 ' O ' ' A' ' 355' ' ' SER . 4.6 mt -149.63 -155.6 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 357' ' ' ARG . . . . . 0.678 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 2.1 mtm180 -68.77 160.52 30.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' LYS . . . . . 0.845 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.38 -66.65 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.845 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.2 Cg_endo -75.02 -62.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' PHE . . . . . 0.549 ' CE1' HG21 ' A' ' 456' ' ' ILE . 2.3 m-30 -48.43 -11.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 357' ' ' ARG . . . -86.85 34.03 3.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 362' ' ' ASP . . . . . 0.532 ' O ' ' OD1' ' A' ' 362' ' ' ASP . 50.4 p30 -177.98 59.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 363' ' ' PHE . . . . . 0.498 ' O ' ' NZ ' ' A' ' 367' ' ' LYS . 0.6 OUTLIER -105.39 -22.44 13.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 364' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 285' ' ' CYS . 0.3 OUTLIER -128.29 -4.94 5.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . 0.756 ' OE1' ' CE2' ' A' ' 368' ' ' PHE . 1.6 tp10 -74.83 -36.24 2.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.2 Cg_endo -75.01 -32.95 4.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.548 1.815 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 367' ' ' LYS . . . . . 0.63 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 0.2 OUTLIER -69.97 -60.8 2.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 368' ' ' PHE . . . . . 0.793 ' CD1' ' O ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -59.92 -47.99 83.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . 0.861 ' O ' HG12 ' A' ' 372' ' ' VAL . 6.1 tt0 -50.64 -45.31 57.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 370' ' ' PHE . . . . . 1.095 ' CG ' HD11 ' A' ' 445' ' ' ILE . 3.7 m-85 -70.28 -33.93 72.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . 0.805 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -57.17 -47.47 81.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 372' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 369' ' ' GLU . 1.4 p -58.53 -15.63 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -102.19 -25.45 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 374' ' ' PHE . . . . . 0.668 ' CE1' ' OD1' ' A' ' 441' ' ' ASP . 0.1 OUTLIER -90.04 -35.79 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . 0.414 ' ND2' HH21 ' A' ' 234' ' ' ARG . 1.2 m-80 -57.98 -11.02 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -83.96 26.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.841 HD11 ' CE ' ' A' ' 438' ' ' LYS . 1.2 pp -167.04 4.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . 1.026 ' O ' HD23 ' A' ' 379' ' ' LEU . 1.3 mt-10 -73.35 -172.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 1.026 HD23 ' O ' ' A' ' 378' ' ' GLU . 6.6 mt -136.53 -134.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . 0.7 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 0.4 OUTLIER -110.98 148.45 32.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . 0.84 ' OD2' ' HB2' ' A' ' 231' ' ' ALA . 1.5 m-20 -38.17 -29.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . 0.636 ' HA ' ' CD1' ' A' ' 219' ' ' TYR . 0.3 OUTLIER -58.46 -62.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.039 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . 0.557 ' OD2' ' HB3' ' A' ' 379' ' ' LEU . 5.9 m-20 -63.45 -20.17 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 380' ' ' ASP . 11.3 mt -81.91 -61.7 1.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . 0.618 ' HB1' ' HB3' ' A' ' 222' ' ' TYR . . . -36.48 -42.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 413' ' ' LEU . 20.0 mt -70.1 -54.32 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 390' ' ' VAL . 1.3 t80 -35.26 -53.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 388' ' ' ILE . . . . . 0.797 ' CG1' HG23 ' A' ' 325' ' ' ILE . 0.3 OUTLIER -43.21 -50.54 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . 0.964 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -62.33 -34.02 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.653 HG13 ' NE2' ' A' ' 410' ' ' GLN . 39.2 t -69.22 -7.05 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.954 HG22 HD12 ' A' ' 325' ' ' ILE . 17.1 mm -110.22 -17.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' ILE . . . . . 0.718 HD13 ' CE2' ' A' ' 306' ' ' PHE . 0.1 OUTLIER -84.15 -56.86 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.8 ' O ' HG22 ' A' ' 406' ' ' ILE . 3.6 mm? -66.34 19.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . 0.713 ' H ' ' C ' ' A' ' 392' ' ' ILE . 0.8 OUTLIER -76.71 117.01 17.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.045 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' GLY . . . . . 0.69 ' HA2' HD13 ' A' ' 400' ' ' LEU . . . -97.67 46.57 1.62 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' ASP . . . . . 0.54 ' OD1' ' CZ ' ' A' ' 397' ' ' ARG . 1.1 p-10 -101.12 -23.66 14.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' ARG . . . . . 0.919 ' HB2' ' HG ' ' A' ' 400' ' ' LEU . 14.0 mmt180 -61.03 123.36 75.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 10.2 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . 0.717 ' O ' HG21 ' A' ' 316' ' ' THR . . . -125.69 30.62 4.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.919 ' HG ' ' HB2' ' A' ' 397' ' ' ARG . 16.7 mt -91.3 -176.55 4.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.767 . . . . 0.0 109.264 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.799 HD12 ' H ' ' A' ' 313' ' ' ASP . 14.5 mt -126.04 -62.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . 0.953 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 1.8 m120 -108.71 79.61 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' VAL . . . . . 0.959 ' HA ' HD12 ' A' ' 406' ' ' ILE . 1.0 OUTLIER -71.45 -13.02 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.763 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -70.74 -51.49 11.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . 0.953 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -21.91 15.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . 0.959 HD12 ' HA ' ' A' ' 403' ' ' VAL . 41.5 mt -68.66 -79.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -18.8 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . 0.763 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 29.1 m-20 -74.28 -59.65 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' ILE . . . . . 0.73 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 25.0 mm -56.96 -21.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . 0.779 ' HG3' ' CB ' ' A' ' 393' ' ' LEU . 0.0 OUTLIER -73.8 -45.29 52.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . 0.462 ' HA ' ' CD2' ' A' ' 414' ' ' LEU . 15.8 t70 -42.34 -24.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . 0.483 ' N ' ' C ' ' A' ' 410' ' ' GLN . 1.8 t-20 -88.92 -68.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 1.014 HD22 HD21 ' A' ' 218' ' ' LEU . 0.5 OUTLIER -36.89 -47.61 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 415' ' ' GLN . 0.9 OUTLIER -60.72 -54.67 42.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.924 ' HB3' HD21 ' A' ' 211' ' ' LEU . 21.5 mt-30 -43.88 -57.21 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.688 ' O ' ' N ' ' A' ' 420' ' ' GLN . . . -48.87 -57.57 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 1.008 ' C ' HD22 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -38.66 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' GLU . . . . . 0.908 ' H ' HD13 ' A' ' 417' ' ' LEU . 31.4 tt0 -50.64 -32.44 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.249 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.978 HD22 HD12 ' A' ' 211' ' ' LEU . 0.7 OUTLIER -70.04 -73.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' GLN . . . . . 0.688 ' N ' ' O ' ' A' ' 416' ' ' ALA . 0.0 OUTLIER -43.21 -35.87 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.844 ' C ' HD12 ' A' ' 421' ' ' LEU . 0.1 OUTLIER -73.28 -41.17 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . 0.538 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 4.4 mttt -77.91 6.67 7.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.787 HD11 ' HG ' ' A' ' 419' ' ' LEU . 10.0 mt -123.32 -42.52 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.645 ' ND2' ' CD2' ' A' ' 425' ' ' HIS . 0.0 OUTLIER -81.17 -16.07 53.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.645 ' CD2' ' ND2' ' A' ' 424' ' ' ASN . 0.3 OUTLIER 177.08 73.15 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.589 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.538 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.3 Cg_endo -74.95 151.76 40.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 170.32 175.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 36.6 t 63.64 -100.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 3.2 p 171.21 -66.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' GLN . . . . . 0.61 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -102.83 25.99 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 430' ' ' GLN . 0.7 OUTLIER -38.25 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' PHE . . . . . 0.874 ' CE1' HD23 ' A' ' 436' ' ' LEU . 0.5 OUTLIER -84.91 -49.04 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' ALA . . . . . 0.648 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -44.5 -24.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.444 ' N ' ' C ' ' A' ' 432' ' ' PHE . 0.3 OUTLIER -98.02 -48.26 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 438' ' ' LYS . 0.3 OUTLIER -39.52 -38.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.874 HD23 ' CE1' ' A' ' 432' ' ' PHE . 3.3 pp -74.62 -49.44 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' GLN . . . . . 0.648 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 1.3 mt-30 -49.73 -11.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.841 ' CE ' HD11 ' A' ' 377' ' ' LEU . 3.1 mmpm? -48.63 -29.83 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' MET . . . . . 0.69 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.05 -46.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.761 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.1 OUTLIER -31.08 -95.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.668 ' OD1' ' CE1' ' A' ' 374' ' ' PHE . 0.5 OUTLIER -44.92 -22.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.907 HD12 ' HA ' ' A' ' 324' ' ' GLU . 1.0 OUTLIER -73.45 -79.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . 0.69 ' N ' ' O ' ' A' ' 439' ' ' MET . 1.2 ttt180 -58.72 -19.79 43.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.234 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.994 ' O ' HG22 ' A' ' 447' ' ' THR . 13.6 mm-40 -75.84 -79.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 1.095 HD11 ' CG ' ' A' ' 370' ' ' PHE . 10.1 mt -44.92 -45.45 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 1.087 HG21 ' CD2' ' A' ' 323' ' ' HIS . 68.6 t -51.93 -66.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . 0.994 HG22 ' O ' ' A' ' 444' ' ' GLN . 15.3 t -46.26 -24.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.43 -52.41 9.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' HIS . . . . . 0.634 ' CG ' ' HH ' ' A' ' 327' ' ' TYR . 0.1 OUTLIER -42.81 -31.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.598 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' A' ' 454' ' ' GLN . 21.9 t -82.01 -49.4 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' GLN . . . . . 0.735 ' O ' HG23 ' A' ' 455' ' ' VAL . 4.6 mt-30 -44.94 -25.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.401 ' N ' ' C ' ' A' ' 450' ' ' VAL . 1.6 mt -86.71 -68.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 457' ' ' LYS . 0.1 OUTLIER -58.56 -17.18 19.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . 0.675 ' O ' ' CG ' ' A' ' 458' ' ' LYS . 0.7 OUTLIER -80.56 -50.52 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 451' ' ' GLN . 95.4 t -70.62 -6.02 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.885 ' O ' ' N ' ' A' ' 460' ' ' GLU . 1.4 tp -105.91 -59.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.65 ' HB3' HD12 ' A' ' 453' ' ' LEU . 0.0 OUTLIER -49.76 -20.04 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.675 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -102.6 -39.4 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 459' ' ' THR . 2.1 m -126.39 39.52 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.885 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.2 OUTLIER -44.12 170.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.5 OUTLIER -72.28 -22.45 61.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 461' ' ' THR . 4.2 t0 170.72 54.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 5.5 ttt 62.07 152.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 465' ' ' LEU . 3.6 m -164.62 175.84 9.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.816 HD23 HD13 ' A' ' 469' ' ' LEU . 0.1 OUTLIER 39.29 -127.06 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . 0.908 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 13.2 p80 -158.59 -177.3 0.72 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.588 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . 0.908 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.99 -44.88 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 0.5 OUTLIER -43.86 -20.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.816 HD13 HD23 ' A' ' 465' ' ' LEU . 0.0 OUTLIER -89.26 -56.86 3.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.484 ' CG ' ' HD2' ' A' ' 457' ' ' LYS . 1.4 tt0 -46.76 -28.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -76.05 -53.25 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.0 OUTLIER -45.43 -57.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' TYR . . . . . 0.528 ' CZ ' ' CD2' ' A' ' 453' ' ' LEU . 0.3 OUTLIER -56.29 -47.79 77.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . 0.446 ' O ' ' NZ ' ' A' ' 319' ' ' LYS . 0.0 OUTLIER -54.67 -169.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.69 140.37 29.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 1.032 ' O ' ' HB3' ' A' ' 211' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . 0.72 ' O ' ' C ' ' A' ' 209' ' ' ALA . 4.4 m -33.84 -70.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.914 ' O ' ' HB3' ' A' ' 213' ' ' ALA . . . 0.15 -113.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' ASP . . . . . 0.566 ' O ' ' HB3' ' A' ' 214' ' ' LEU . 2.1 p30 -105.69 -12.59 15.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 1.187 HD22 ' CD1' ' A' ' 419' ' ' LEU . 0.1 OUTLIER -56.97 -60.57 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . 0.44 ' NH2' ' HB2' ' A' ' 420' ' ' GLN . 0.3 OUTLIER -94.55 -21.82 18.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.914 ' HB3' ' O ' ' A' ' 209' ' ' ALA . . . -72.42 -57.96 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . 1.086 HD23 ' HB2' ' A' ' 416' ' ' ALA . 11.8 tp -56.78 -55.55 32.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . 0.539 ' HA ' HD11 ' A' ' 386' ' ' ILE . . . -42.36 -67.61 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -51.96 -28.31 16.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' HIS . . . . . 0.586 ' O ' ' N ' ' A' ' 220' ' ' ASP . 33.0 t60 -73.27 -73.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.644 ' O ' ' HB2' ' A' ' 222' ' ' TYR . 0.0 OUTLIER -36.89 -50.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' TYR . . . . . 0.717 ' HD1' ' HB3' ' A' ' 385' ' ' ALA . 19.1 t80 -70.54 -32.61 70.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 217' ' ' HIS . 0.7 OUTLIER -61.37 -75.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' SER . . . . . 0.749 ' CB ' ' HB2' ' A' ' 302' ' ' SER . 67.2 m -50.53 -29.07 9.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 222' ' ' TYR . . . . . 0.717 ' CE2' ' HA ' ' A' ' 385' ' ' ALA . 0.6 OUTLIER -71.82 -49.83 35.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.564 HD11 ' CE2' ' A' ' 219' ' ' TYR . 1.1 mp -52.06 -10.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . 0.536 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.1 OUTLIER -94.61 -44.09 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . 0.63 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 29.5 t -59.36 -77.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 226' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 226' ' ' PHE . 0.0 OUTLIER -113.77 110.09 49.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 227' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 229' ' ' THR . 18.4 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.702 HD11 ' HG ' ' A' ' 340' ' ' LEU . 0.5 OUTLIER -59.46 80.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 227' ' ' PRO . 15.5 p -83.52 -165.68 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . 0.694 ' HD3' HD11 ' A' ' 384' ' ' LEU . 0.2 OUTLIER -75.36 -27.81 59.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . 0.764 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -76.14 -39.78 54.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 232' ' ' LYS . . . . . 0.583 ' O ' ' CD1' ' A' ' 236' ' ' ILE . 1.4 mttp -73.04 -40.56 65.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 233' ' ' ALA . . . . . 0.869 ' HB1' HD23 ' A' ' 340' ' ' LEU . . . -68.05 -47.75 67.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.654 ' NE ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -77.07 1.29 18.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . 0.877 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -87.48 -69.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.583 ' CD1' ' O ' ' A' ' 232' ' ' LYS . 0.0 OUTLIER -61.45 -37.55 78.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 237' ' ' LEU . . . . . 0.719 ' HG ' HD21 ' A' ' 340' ' ' LEU . 26.6 mt -51.73 -34.1 37.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 238' ' ' THR . . . . . 0.736 ' O ' ' N ' ' A' ' 240' ' ' LYS . 1.9 t -161.98 -35.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . 0.877 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -14.49 -49.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 240' ' ' LYS . . . . . 0.765 ' O ' HG22 ' A' ' 241' ' ' THR . 0.0 OUTLIER 148.11 -88.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.753 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 240' ' ' LYS . 8.8 t 51.31 46.04 27.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.365 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 242' ' ' THR . 0.4 OUTLIER 53.19 15.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.382 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 243' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 242' ' ' THR . 0.0 OUTLIER 81.91 0.18 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 244' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' A' ' 241' ' ' THR . 0.1 OUTLIER -38.0 -49.32 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 245' ' ' SER . . . . . . . . . . . . . 6.1 m 73.58 146.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . 0.763 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo -74.99 111.21 3.27 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 247' ' ' PHE . . . . . 0.615 ' C ' ' O ' ' A' ' 246' ' ' PRO . 14.4 t80 -14.22 75.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 0.763 ' N ' ' O ' ' A' ' 246' ' ' PRO . 1.5 m -58.84 101.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 249' ' ' ILE . . . . . 0.708 ' O ' HG23 ' A' ' 349' ' ' THR . 0.7 OUTLIER -74.47 100.55 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 250' ' ' TYR . . . . . 0.644 ' CB ' HG21 ' A' ' 349' ' ' THR . 0.2 OUTLIER -158.93 -37.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 250' ' ' TYR . 1.7 p30 -68.23 153.5 43.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 252' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.72 -39.75 8.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -57.1 -56.77 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 254' ' ' SER . . . . . 0.51 ' CB ' ' HA ' ' A' ' 249' ' ' ILE . 0.1 OUTLIER -51.85 -51.93 53.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.031 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 255' ' ' LEU . . . . . 0.623 HD12 ' CE2' ' A' ' 352' ' ' PHE . 3.9 tt -44.53 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 256' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.0 -67.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 257' ' ' MET . . . . . 0.695 ' O ' ' N ' ' A' ' 261' ' ' LYS . 4.1 mtt -39.39 -79.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 258' ' ' GLY . . . . . 0.5 ' N ' ' HD3' ' A' ' 261' ' ' LYS . . . -34.7 -72.38 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.57 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 0.9 OUTLIER -40.52 -26.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 110.318 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 257' ' ' MET . 0.1 OUTLIER -96.09 -44.12 7.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 261' ' ' LYS . . . . . 0.695 ' N ' ' O ' ' A' ' 257' ' ' MET . 0.2 OUTLIER -46.19 -49.38 17.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.602 HG22 ' HG3' ' A' ' 263' ' ' LYS . 10.5 mt -52.41 94.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.602 ' HG3' HG22 ' A' ' 262' ' ' ILE . 2.9 mttt 88.56 -51.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 264' ' ' PHE . . . . . 0.427 ' O ' ' C ' ' A' ' 265' ' ' LYS . 72.1 t80 57.27 156.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 264' ' ' PHE . 2.6 tttp 38.18 55.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.6 30.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.57 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 19.2 mm -87.33 134.28 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 268' ' ' THR . . . . . 1.022 HG22 ' HG ' ' A' ' 270' ' ' LEU . 0.5 OUTLIER -151.57 174.68 3.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . 0.792 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.3 Cg_endo -74.97 53.48 3.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 1.022 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.0 OUTLIER -84.6 -89.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 271' ' ' GLN . . . . . 0.641 ' C ' ' O ' ' A' ' 270' ' ' LEU . 4.8 pt20 -13.28 93.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 270' ' ' LEU . 22.4 tt0 -63.22 87.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 273' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 40.48 67.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 275' ' ' LYS . 0.4 OUTLIER -123.96 -66.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.999 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 274' ' ' SER . 0.0 OUTLIER 39.04 43.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 276' ' ' GLU . . . . . 0.744 ' CG ' ' H ' ' A' ' 278' ' ' ALA . 4.6 tt0 -97.13 142.36 29.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 277' ' ' VAL . . . . . 0.909 ' O ' HD22 ' A' ' 356' ' ' LEU . 2.3 t -66.33 -16.44 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . 0.788 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -86.48 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 0.843 HD13 ' O ' ' A' ' 279' ' ' ILE . 0.1 OUTLIER -36.51 -38.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . 0.624 ' HG3' ' H ' ' A' ' 281' ' ' ILE . 0.0 OUTLIER -76.56 -48.12 20.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 281' ' ' ILE . . . . . 0.717 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.1 OUTLIER -74.5 -44.79 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 282' ' ' PHE . . . . . 0.788 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.6 OUTLIER -50.78 -45.36 59.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 283' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 284' ' ' GLY . 12.5 pt20 -69.45 -34.3 74.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 284' ' ' GLY . . . . . 0.483 ' N ' ' HG3' ' A' ' 283' ' ' GLN . . . -84.24 -56.53 2.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 285' ' ' CYS . . . . . 0.717 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.0 OUTLIER -54.74 -16.35 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 286' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 4.4 tm0? -103.32 -27.98 12.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 287' ' ' PHE . . . . . 0.8 ' O ' HG22 ' A' ' 290' ' ' VAL . 29.0 t80 -51.48 -45.37 62.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -22.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 289' ' ' SER . . . . . 0.57 ' O ' HG12 ' A' ' 293' ' ' VAL . 0.3 OUTLIER -80.04 -54.2 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.023 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 290' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 287' ' ' PHE . 3.5 m -50.94 -22.46 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 294' ' ' GLN . 57.2 mt-10 -84.11 -59.76 2.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . 0.684 ' HB3' ' CD1' ' A' ' 326' ' ' ILE . . . -34.67 -56.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.245 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . 0.657 HG23 ' C ' ' A' ' 476' ' ' LEU . 0.3 OUTLIER -39.59 -45.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.2 mt-30 -75.15 -27.63 59.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 295' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 292' ' ' ALA . 10.5 mm-40 -76.55 -50.13 14.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . 0.977 HG21 HD21 ' A' ' 318' ' ' LEU . 2.3 mp -46.98 -65.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 297' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -37.36 -62.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.31 -27.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 299' ' ' TYR . . . . . 0.774 ' O ' ' HB2' ' A' ' 302' ' ' SER . 1.0 OUTLIER -105.5 -36.35 7.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 1.013 ' HB1' ' CE2' ' A' ' 306' ' ' PHE . . . -53.47 -54.56 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -49.89 -0.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . 0.774 ' HB2' ' O ' ' A' ' 299' ' ' TYR . 8.6 t -71.2 -41.19 70.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 303' ' ' ILE . . . . . 0.968 HG21 HD21 ' A' ' 413' ' ' LEU . 0.5 OUTLIER -69.82 124.32 90.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 45.91 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.462 1.77 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . 0.568 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -159.29 -29.1 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 1.013 ' CE2' ' HB1' ' A' ' 300' ' ' ALA . 2.7 t80 -56.48 -61.08 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -22.35 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -75.43 -13.76 60.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.839 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.9 mt -67.47 -108.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 310' ' ' ASP . . . . . 0.774 ' HB3' ' HB2' ' A' ' 313' ' ' ASP . 8.7 t70 -146.91 155.13 42.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 311' ' ' LEU . 0.1 OUTLIER -53.37 -48.39 68.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . 0.902 ' HB2' HD11 ' A' ' 401' ' ' LEU . 31.8 m-80 -81.21 -58.87 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' ASP . . . . . 1.113 ' OD2' HD11 ' A' ' 406' ' ' ILE . 6.3 t0 -36.52 -46.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 314' ' ' GLN . . . . . 0.669 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 23.5 mt-30 -61.57 -60.46 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 315' ' ' VAL . . . . . 0.977 HG13 HD13 ' A' ' 476' ' ' LEU . 2.6 t -54.73 -48.31 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.736 HG21 ' C ' ' A' ' 399' ' ' GLY . 3.0 m -44.32 -55.26 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 317' ' ' LEU . . . . . 0.968 HD11 HD21 ' A' ' 400' ' ' LEU . 0.0 OUTLIER -48.5 -55.51 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 318' ' ' LEU . . . . . 0.977 HD21 HG21 ' A' ' 296' ' ' ILE . 0.2 OUTLIER -60.23 -43.41 96.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.621 ' NZ ' ' O ' ' A' ' 473' ' ' TYR . 0.7 OUTLIER -45.1 -29.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 320' ' ' TYR . . . . . 0.481 ' CB ' ' HB3' ' A' ' 397' ' ' ARG . 1.9 t80 -131.97 4.98 4.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 321' ' ' GLY . . . . . 0.782 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -103.92 -47.48 1.26 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . 0.951 ' HB ' HD23 ' A' ' 318' ' ' LEU . 2.7 p -44.59 -24.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . 0.512 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 16.4 m-70 -66.14 -58.7 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.563 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 324' ' ' GLU . . . . . 0.883 ' HA ' HD12 ' A' ' 442' ' ' LEU . 2.8 mt-10 -70.31 6.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 325' ' ' ILE . . . . . 0.872 ' O ' HG22 ' A' ' 328' ' ' THR . 1.1 mp -106.6 -46.67 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' ILE . . . . . 0.828 HD11 HG22 ' A' ' 322' ' ' VAL . 10.6 mt -79.3 -39.64 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.759 ' CD2' HG22 ' A' ' 446' ' ' VAL . 27.4 m-85 -76.71 -20.91 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' THR . . . . . 0.876 ' HB ' ' O ' ' A' ' 324' ' ' GLU . 6.5 t -72.52 -56.89 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.555 ' N ' ' CG2' ' A' ' 328' ' ' THR . 13.7 ptt? -78.86 -21.48 47.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.62 ' O ' ' N ' ' A' ' 333' ' ' LEU . 2.3 mt -51.3 -57.27 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' ALA . . . . . 1.033 ' HB2' ' CE2' ' A' ' 370' ' ' PHE . . . -32.58 -50.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . 0.654 ' O ' ' NE ' ' A' ' 234' ' ' ARG . 69.1 m -60.91 -45.8 93.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.053 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.695 ' N ' HD13 ' A' ' 333' ' ' LEU . 0.0 OUTLIER -70.98 13.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' MET . . . . . 0.696 ' HB2' ' O ' ' A' ' 331' ' ' ALA . 3.2 mmt -94.49 170.46 9.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' ASN . . . . . 0.56 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 0.8 OUTLIER -145.68 165.26 29.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' LYS . . . . . 0.56 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -40.07 -51.8 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 5.7 m-20 -143.62 42.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . 0.776 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -163.93 175.84 40.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . 0.733 ' O ' HG23 ' A' ' 341' ' ' ILE . 7.4 p -143.41 132.96 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 0.869 HD23 ' HB1' ' A' ' 233' ' ' ALA . 0.4 OUTLIER -53.71 128.9 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' ILE . . . . . 0.733 HG23 ' O ' ' A' ' 339' ' ' VAL . 3.1 pt -128.8 127.23 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 345' ' ' GLN . 0.6 OUTLIER 46.22 103.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.003 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.569 ' CB ' HD23 ' A' ' 228' ' ' LEU . 5.0 pm0 -43.99 -32.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -95.05 29.38 9.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 342' ' ' SER . 8.3 tp-100 -135.81 -103.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . 0.537 ' HA3' ' CA ' ' A' ' 247' ' ' PHE . . . -161.43 -108.49 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 0.67 ' HA ' HG23 ' A' ' 341' ' ' ILE . 0.3 OUTLIER -170.65 149.3 3.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 110.974 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.603 ' H ' HG23 ' A' ' 341' ' ' ILE . 0.0 OUTLIER -96.8 121.86 39.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' THR . . . . . 0.776 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 1.3 p -69.6 150.81 46.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . 0.824 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 25.6 ttp180 -65.33 -52.93 50.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' GLU . . . . . 0.595 ' O ' ' CB ' ' A' ' 355' ' ' SER . 0.8 OUTLIER -39.9 -23.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' PHE . . . . . 0.623 ' CE2' HD12 ' A' ' 255' ' ' LEU . 0.5 OUTLIER -87.04 -61.29 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' LEU . . . . . 0.719 ' HA ' HD21 ' A' ' 356' ' ' LEU . 0.3 OUTLIER -68.19 -24.55 64.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' LYS . . . . . 0.75 ' HA ' ' O ' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -91.44 -19.74 22.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 0.0 OUTLIER -55.99 -42.81 76.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.979 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' LEU . . . . . 1.108 HD12 ' HA2' ' A' ' 361' ' ' GLY . 0.0 OUTLIER -41.68 175.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 357' ' ' ARG . . . . . 0.696 ' HG3' ' C ' ' A' ' 360' ' ' PHE . 0.6 OUTLIER -34.55 129.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' LYS . . . . . 0.801 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -31.78 -53.5 0.5 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.801 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.01 -90.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' PHE . . . . . 1.206 ' CE1' HD13 ' A' ' 456' ' ' ILE . 2.9 m-85 -67.84 39.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . 1.108 ' HA2' HD12 ' A' ' 356' ' ' LEU . . . -138.65 22.15 3.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 362' ' ' ASP . . . . . 0.55 ' OD1' ' O ' ' A' ' 358' ' ' LYS . 0.0 OUTLIER -172.03 72.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 363' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -97.09 6.73 48.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 364' ' ' MET . . . . . 0.549 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 1.1 ttt -121.07 -6.28 9.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . 0.824 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 4.6 tp10 -58.61 -38.3 63.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.96 -18.97 18.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 367' ' ' LYS . . . . . 0.634 ' HB3' ' CE ' ' A' ' 334' ' ' MET . 25.1 mttp -77.1 -47.86 19.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 368' ' ' PHE . . . . . 0.679 ' CE1' ' HB ' ' A' ' 339' ' ' VAL . 4.3 m-30 -58.45 -48.38 80.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . 0.655 ' O ' HG12 ' A' ' 372' ' ' VAL . 4.5 tt0 -60.64 -46.81 88.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 370' ' ' PHE . . . . . 1.033 ' CE2' ' HB2' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -60.07 -35.73 75.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . 0.897 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -66.74 -60.72 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 372' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 369' ' ' GLU . 4.3 p -50.38 -20.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -95.52 -26.5 15.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 374' ' ' PHE . . . . . 0.696 ' CZ ' ' HG3' ' A' ' 438' ' ' LYS . 0.2 OUTLIER -87.04 -41.52 13.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . 0.518 ' OD1' ' C ' ' A' ' 371' ' ' ALA . 3.1 m120 -55.24 -16.95 3.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -90.64 35.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 1.0 OUTLIER -173.71 4.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . 0.743 ' O ' HD23 ' A' ' 379' ' ' LEU . 1.1 mt-10 -80.18 -174.19 4.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 378' ' ' GLU . 22.2 mt -134.26 -126.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 382' ' ' SER . 56.8 p30 -116.84 140.23 49.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . 0.836 ' HA ' HD12 ' A' ' 384' ' ' LEU . 60.4 m-20 -27.05 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 380' ' ' ASP . 0.3 OUTLIER -46.51 -68.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . 0.406 ' OD2' ' CB ' ' A' ' 379' ' ' LEU . 8.7 m-20 -58.93 -25.25 63.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 381' ' ' ASP . 10.5 mt -75.02 -53.3 9.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . 0.717 ' HA ' ' CE2' ' A' ' 222' ' ' TYR . . . -66.57 17.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.694 ' H ' ' C ' ' A' ' 384' ' ' LEU . 3.1 mm -118.69 -67.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . 1.099 ' O ' HG22 ' A' ' 390' ' ' VAL . 0.3 OUTLIER -50.26 -31.39 14.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 388' ' ' ILE . . . . . 0.599 HG12 HG13 ' A' ' 325' ' ' ILE . 0.0 OUTLIER -53.03 -48.4 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . 0.448 ' O ' HD13 ' A' ' 413' ' ' LEU . . . -62.9 -33.12 74.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 1.099 HG22 ' O ' ' A' ' 387' ' ' PHE . 0.9 OUTLIER -67.32 -23.6 30.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.86 HG22 HD12 ' A' ' 325' ' ' ILE . 68.0 mt -79.94 -22.54 11.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' ILE . . . . . 0.746 ' CG2' ' CE1' ' A' ' 306' ' ' PHE . 7.0 mm -75.86 -56.21 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.775 ' CD1' ' HB ' ' A' ' 409' ' ' ILE . 4.1 mm? -66.63 35.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . 0.678 ' H ' ' C ' ' A' ' 392' ' ' ILE . 75.2 m -86.95 93.9 9.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' GLY . . . . . 0.574 ' N ' ' CG2' ' A' ' 406' ' ' ILE . . . -74.31 63.03 2.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 0.0 111.069 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' ASP . . . . . 0.409 ' C ' ' HD3' ' A' ' 397' ' ' ARG . 1.3 t70 -149.35 18.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' ARG . . . . . 0.547 ' HG3' ' HA ' ' A' ' 317' ' ' LEU . 4.0 mmt180 -95.68 155.76 38.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . 0.572 ' O ' HG23 ' A' ' 316' ' ' THR . 18.2 Cg_endo -75.01 128.04 11.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . 0.736 ' C ' HG21 ' A' ' 316' ' ' THR . . . 91.62 37.3 6.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 1.095 HD23 ' OD1' ' A' ' 313' ' ' ASP . 0.2 OUTLIER -87.96 139.92 30.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.902 HD11 ' HB2' ' A' ' 312' ' ' ASN . 17.9 mt -97.69 -68.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . 1.333 ' O ' ' HD2' ' A' ' 405' ' ' PRO . 4.6 m120 -110.07 83.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' VAL . . . . . 0.932 ' HA ' HD13 ' A' ' 406' ' ' ILE . 1.2 t -69.18 -3.11 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.664 ' N ' ' CD ' ' A' ' 405' ' ' PRO . 3.0 mtmt -79.45 -42.91 1.61 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . 1.333 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -75.03 -24.16 13.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . 1.267 ' CD1' ' O ' ' A' ' 402' ' ' ASN . 4.1 mp -70.51 -51.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.2 -18.33 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . 0.558 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 93.4 m-20 -79.25 -58.11 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' ILE . . . . . 0.775 ' HB ' ' CD1' ' A' ' 393' ' ' LEU . 20.3 mm -58.03 -25.15 25.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . 0.761 ' OE1' HD11 ' A' ' 414' ' ' LEU . 0.0 OUTLIER -71.14 -43.97 66.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -46.97 -25.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 410' ' ' GLN . 1.0 OUTLIER -86.58 -50.63 6.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.968 HD21 HG21 ' A' ' 303' ' ' ILE . 2.7 mt -54.31 -41.45 69.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.825 HD12 ' HB ' ' A' ' 390' ' ' VAL . 9.1 mp -60.36 -46.16 90.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.635 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 40.6 mt-30 -51.96 -57.61 8.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 1.086 ' HB2' HD23 ' A' ' 214' ' ' LEU . . . -46.25 -50.6 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 0.974 ' C ' HD22 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -46.15 -82.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' GLU . . . . . 0.891 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.9 OUTLIER -56.01 -17.09 5.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 1.187 ' CD1' HD22 ' A' ' 211' ' ' LEU . 0.3 OUTLIER -68.58 -82.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' GLN . . . . . 0.768 ' N ' HD23 ' A' ' 419' ' ' LEU . 0.0 OUTLIER -60.83 -5.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.853 HD22 ' O ' ' A' ' 421' ' ' LEU . 0.1 OUTLIER -88.5 -54.29 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 418' ' ' GLU . 0.0 OUTLIER -78.83 9.91 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.661 ' CD1' HD21 ' A' ' 211' ' ' LEU . 12.1 mt -118.59 -39.84 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.628 ' CG ' ' CD2' ' A' ' 425' ' ' HIS . 42.1 p-10 -82.3 -13.44 56.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.747 ' CE1' HD23 ' A' ' 421' ' ' LEU . 33.0 p80 172.37 76.41 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.52 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.98 153.67 42.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 428' ' ' SER . 29.8 tt0 175.5 134.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . 0.622 ' CB ' HD23 ' A' ' 431' ' ' LEU . 0.3 OUTLIER 87.17 -148.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 3.0 p -124.87 -77.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' GLN . . . . . 0.578 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -97.58 26.92 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.353 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . 0.622 HD23 ' CB ' ' A' ' 428' ' ' SER . 0.2 OUTLIER -39.01 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' PHE . . . . . 0.74 ' C ' ' CD1' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -85.45 -49.25 8.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' A' ' 437' ' ' GLN . . . -44.17 -23.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.579 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 1.2 ptpm? -99.72 -47.76 4.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' LEU . . . . . 0.516 ' HA ' ' CE ' ' A' ' 438' ' ' LYS . 0.4 OUTLIER -37.51 -38.8 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' A' ' 439' ' ' MET . 50.9 mt -78.88 -48.78 14.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' GLN . . . . . 0.65 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 2.0 mm-40 -42.12 -17.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.696 ' HG3' ' CZ ' ' A' ' 374' ' ' PHE . 0.2 OUTLIER -52.43 -25.98 11.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 0.0 OUTLIER -25.85 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.642 ' O ' ' N ' ' A' ' 444' ' ' GLN . 73.1 p -30.85 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.521 ' O ' HG13 ' A' ' 445' ' ' ILE . 1.3 m-20 -41.05 -25.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 324' ' ' GLU . 0.5 OUTLIER -75.83 -82.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 439' ' ' MET . 1.2 ttt180 -58.25 -25.62 61.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.841 ' O ' HG22 ' A' ' 447' ' ' THR . 0.0 OUTLIER -71.55 -73.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 1.114 HG22 ' CE1' ' A' ' 449' ' ' HIS . 25.4 mt -49.09 -27.83 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.759 HG22 ' CD2' ' A' ' 327' ' ' TYR . 1.2 t -60.48 -71.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 444' ' ' GLN . 4.3 t -40.66 -28.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 446' ' ' VAL . 1.2 mm-40 -77.24 -53.74 7.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' HIS . . . . . 1.114 ' CE1' HG22 ' A' ' 445' ' ' ILE . 33.9 m170 -43.83 -27.39 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' VAL . . . . . 0.849 HG12 ' HB2' ' A' ' 454' ' ' GLN . 11.4 t -80.83 -57.71 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 450' ' ' VAL . 0.4 OUTLIER -36.74 -29.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 450' ' ' VAL . 6.1 mt -82.22 -75.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 457' ' ' LYS . 2.7 pp -58.91 -13.44 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . 0.849 ' HB2' HG12 ' A' ' 450' ' ' VAL . 0.2 OUTLIER -80.72 -51.34 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 455' ' ' VAL . 53.2 t -70.97 -5.17 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 1.206 HD13 ' CE1' ' A' ' 360' ' ' PHE . 1.0 OUTLIER -105.04 -59.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.624 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 13.0 pttt -49.32 -20.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.655 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -101.03 -39.44 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 459' ' ' THR . 2.2 m -132.3 48.34 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.801 ' N ' ' O ' ' A' ' 456' ' ' ILE . 3.1 mm-40 -42.89 167.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.3 OUTLIER -67.5 -23.16 65.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.9 OUTLIER 171.66 59.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' MET . . . . . 0.447 ' HB3' ' O ' ' A' ' 462' ' ' ASP . 0.0 OUTLIER 65.2 118.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 171.47 92.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.589 ' HA ' ' CE1' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -174.57 -145.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . 0.972 ' CG ' ' HD2' ' A' ' 467' ' ' PRO . 3.0 t-80 -117.18 156.71 48.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.619 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . 0.972 ' HD2' ' CG ' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.98 129.72 12.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 467' ' ' PRO . 0.2 OUTLIER 83.22 4.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.658 HD23 ' H ' ' A' ' 473' ' ' TYR . 0.8 OUTLIER 80.32 69.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.705 ' HA ' ' CG ' ' A' ' 466' ' ' HIS . 12.9 pt20 47.31 52.06 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' GLU . . . . . 0.554 ' H ' ' CE1' ' A' ' 466' ' ' HIS . 38.4 mt-10 61.42 32.67 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . 0.509 ' O ' ' C ' ' A' ' 473' ' ' TYR . 0.3 OUTLIER 67.42 82.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' TYR . . . . . 0.658 ' H ' HD23 ' A' ' 469' ' ' LEU . 53.3 t80 28.6 42.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . 0.642 ' HD3' HD23 ' A' ' 476' ' ' LEU . 0.2 OUTLIER -35.31 -88.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' ASP . . . . . 0.607 ' OD1' HG13 ' A' ' 322' ' ' VAL . 6.4 t0 26.63 66.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.977 HD13 HG13 ' A' ' 315' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' A' ' 208' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . 0.678 ' O ' ' C ' ' A' ' 209' ' ' ALA . 4.5 m -26.33 -70.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 1.124 ' O ' ' HB3' ' A' ' 213' ' ' ALA . . . 11.82 -117.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 214' ' ' LEU . 48.3 m-20 -88.99 -12.05 42.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 1.028 ' CD1' HD11 ' A' ' 419' ' ' LEU . 0.2 OUTLIER -43.89 -83.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . 0.515 ' N ' HD12 ' A' ' 211' ' ' LEU . 0.2 OUTLIER -91.17 -9.48 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 1.124 ' HB3' ' O ' ' A' ' 209' ' ' ALA . . . -76.63 -59.92 2.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 416' ' ' ALA . 2.9 tp -57.48 -51.54 69.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -43.8 -63.42 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . 0.632 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -52.88 -27.02 16.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 220' ' ' ASP . 16.4 t60 -70.94 -72.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 109.588 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.674 ' O ' ' CE1' ' A' ' 299' ' ' TYR . 0.3 OUTLIER -34.49 -53.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' TYR . . . . . 0.648 ' CE1' ' CD1' ' A' ' 223' ' ' ILE . 15.2 t80 -68.67 -35.66 77.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . 0.632 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 0.4 OUTLIER -59.66 -74.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' SER . . . . . 0.713 ' CB ' ' CB ' ' A' ' 302' ' ' SER . 33.0 p -52.31 -25.51 9.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 222' ' ' TYR . . . . . 0.736 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 30.0 t80 -73.29 -55.57 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.648 ' CD1' ' CE1' ' A' ' 219' ' ' TYR . 0.9 OUTLIER -48.88 -12.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' A' ' 222' ' ' TYR . 0.5 OUTLIER -93.21 -45.36 7.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . 0.743 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 47.7 t -39.48 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 226' ' ' PHE . . . . . 0.68 ' CD1' ' OE1' ' A' ' 295' ' ' GLU . 1.3 t80 -141.2 144.82 36.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 227' ' ' PRO . . . . . 0.652 ' HD2' ' CD1' ' A' ' 226' ' ' PHE . 18.3 Cg_endo -74.96 -40.27 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.532 1.806 . . . . 0.0 111.041 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.881 HD12 ' HG ' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -60.83 115.48 3.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 227' ' ' PRO . 44.3 p -135.38 -161.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -83.04 -27.79 30.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . 0.837 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -78.63 -40.51 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 232' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 235' ' ' ALA . 1.5 mttm -75.53 -41.36 55.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 233' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 237' ' ' LEU . . . -66.13 -51.08 61.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.908 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -74.7 -5.09 41.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . 0.906 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -73.57 -67.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.6 HG21 ' HA ' ' A' ' 246' ' ' PRO . 0.0 OUTLIER -63.36 -35.08 70.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 237' ' ' LEU . . . . . 1.058 HD13 HD21 ' A' ' 340' ' ' LEU . 0.2 OUTLIER -59.67 -34.77 73.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 238' ' ' THR . . . . . 0.769 ' O ' ' N ' ' A' ' 240' ' ' LYS . 0.7 OUTLIER -149.78 -41.52 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . 0.906 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -15.07 -46.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 240' ' ' LYS . . . . . 0.769 ' N ' ' O ' ' A' ' 238' ' ' THR . 0.0 OUTLIER 148.19 -92.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 0.761 . . . . 0.0 109.267 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 240' ' ' LYS . 6.7 t 49.67 51.2 16.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.695 HG22 ' N ' ' A' ' 243' ' ' ASP . 0.4 OUTLIER 68.71 -64.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 243' ' ' ASP . . . . . 0.695 ' N ' HG22 ' A' ' 242' ' ' THR . 47.9 p-10 -135.36 67.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 244' ' ' LYS . . . . . 0.693 ' C ' ' O ' ' A' ' 243' ' ' ASP . 0.0 OUTLIER -7.31 104.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 245' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 236' ' ' ILE . 3.4 m -179.76 105.4 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . 0.83 ' O ' ' N ' ' A' ' 248' ' ' VAL . 18.3 Cg_endo -74.99 133.39 16.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 247' ' ' PHE . . . . . 0.774 ' CG ' ' O ' ' A' ' 247' ' ' PHE . 0.5 OUTLIER -16.0 72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 1.044 HG23 ' CZ ' ' A' ' 347' ' ' PHE . 13.1 p -57.68 138.48 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 249' ' ' ILE . . . . . 0.766 HG21 ' CD1' ' A' ' 341' ' ' ILE . 0.9 OUTLIER -132.95 105.2 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 250' ' ' TYR . . . . . 0.699 ' CB ' HG21 ' A' ' 349' ' ' THR . 0.0 OUTLIER -158.17 16.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 255' ' ' LEU . 0.7 OUTLIER -128.45 179.2 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 252' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 253' ' ' ASN . 2.4 tmm? -54.08 -67.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 252' ' ' MET . 1.9 m120 -39.07 -66.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 254' ' ' SER . . . . . 0.436 ' CB ' ' HA ' ' A' ' 249' ' ' ILE . 91.4 p -53.55 -53.73 47.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 255' ' ' LEU . . . . . 0.781 HD12 ' CZ ' ' A' ' 352' ' ' PHE . 2.0 tt -45.65 -54.04 8.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 256' ' ' MET . . . . . 0.56 ' O ' ' CB ' ' A' ' 260' ' ' ASP . 22.0 ttt -53.29 -67.92 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 257' ' ' MET . . . . . 0.837 ' O ' ' HB3' ' A' ' 261' ' ' LYS . 0.0 OUTLIER -57.97 -7.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 258' ' ' GLY . . . . . 0.498 ' HA2' ' CD ' ' A' ' 261' ' ' LYS . . . -88.3 -83.68 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 0.2 OUTLIER -55.49 -15.93 3.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 110.268 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 256' ' ' MET . 45.7 t0 -85.46 -44.73 12.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 261' ' ' LYS . . . . . 0.837 ' HB3' ' O ' ' A' ' 257' ' ' MET . 0.0 OUTLIER -48.49 -35.28 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.493 ' N ' ' HG2' ' A' ' 261' ' ' LYS . 2.8 tt -78.9 -36.93 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -81.47 -82.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 264' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 264' ' ' PHE . 31.4 t80 42.04 34.7 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.22 143.66 46.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -88.31 156.02 19.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 10.7 mm 63.21 128.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 268' ' ' THR . . . . . 0.977 HG23 ' HD2' ' A' ' 269' ' ' PRO . 1.0 OUTLIER -137.55 152.77 73.54 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . 0.977 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.4 Cg_endo -75.01 43.27 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.773 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.801 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.2 OUTLIER -78.08 -101.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 271' ' ' GLN . . . . . 0.508 ' C ' ' O ' ' A' ' 270' ' ' LEU . 9.3 pt20 30.35 89.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 271' ' ' GLN . 0.4 OUTLIER 86.46 -54.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 273' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -98.32 65.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 78.8 p -64.54 157.01 27.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.472 ' CG ' HG21 ' A' ' 279' ' ' ILE . 0.1 OUTLIER -87.25 115.4 24.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 276' ' ' GLU . . . . . 0.652 ' OE1' ' HB3' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -71.32 146.97 48.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 277' ' ' VAL . . . . . 0.495 ' CG2' ' HB3' ' A' ' 356' ' ' LEU . 6.1 p -34.94 -43.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . 0.733 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -59.05 -71.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 0.87 HD11 ' HA ' ' A' ' 465' ' ' LEU . 0.4 OUTLIER -34.11 -33.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . 0.557 ' CZ ' ' OE1' ' A' ' 259' ' ' GLU . 0.0 OUTLIER -76.21 -54.03 7.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 281' ' ' ILE . . . . . 0.697 ' O ' ' N ' ' A' ' 285' ' ' CYS . 0.6 OUTLIER -76.76 -42.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 282' ' ' PHE . . . . . 0.733 ' N ' ' O ' ' A' ' 278' ' ' ALA . 0.7 OUTLIER -54.33 -45.82 72.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 283' ' ' GLN . . . . . 0.469 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 14.0 pt20 -68.77 -34.64 75.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 284' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -82.95 -59.22 2.22 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 285' ' ' CYS . . . . . 0.697 ' N ' ' O ' ' A' ' 281' ' ' ILE . 8.1 p -53.22 -16.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 286' ' ' GLN . . . . . 0.53 ' CB ' ' O ' ' A' ' 282' ' ' PHE . 24.2 tt0 -104.6 -25.26 12.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 287' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 290' ' ' VAL . 26.6 t80 -53.01 -32.06 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -21.48 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 289' ' ' SER . . . . . 0.537 ' O ' HG23 ' A' ' 293' ' ' VAL . 31.1 t -84.76 -56.58 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 290' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.8 m -47.41 -28.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . 0.586 ' O ' ' N ' ' A' ' 294' ' ' GLN . 28.1 mt-10 -77.2 -60.86 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . 0.781 ' HB1' HG12 ' A' ' 326' ' ' ILE . . . -36.4 -53.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . 0.71 ' HA ' HG21 ' A' ' 322' ' ' VAL . 23.4 t -42.75 -40.35 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.586 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.9 mt-30 -77.3 -26.7 52.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 295' ' ' GLU . . . . . 0.68 ' OE1' ' CD1' ' A' ' 226' ' ' PHE . 8.3 mt-10 -78.68 -47.45 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . 0.76 HG12 HG21 ' A' ' 325' ' ' ILE . 1.6 mp -51.35 -63.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 297' ' ' THR . . . . . 0.517 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -39.64 -62.53 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 297' ' ' THR . 0.1 OUTLIER -42.77 -26.6 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 299' ' ' TYR . . . . . 0.743 ' HB2' ' HB2' ' A' ' 225' ' ' SER . 0.8 OUTLIER -104.84 -34.38 8.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.965 ' HB1' ' CE2' ' A' ' 306' ' ' PHE . . . -59.04 -54.62 45.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' LYS . . . . . 0.46 ' HG2' HG22 ' A' ' 307' ' ' VAL . 56.6 mttt -53.75 1.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 300' ' ' ALA . 18.2 p -74.5 -38.96 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 303' ' ' ILE . . . . . 0.896 HG21 HD21 ' A' ' 413' ' ' LEU . 0.7 OUTLIER -64.31 126.56 90.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 46.96 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . 0.562 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -162.52 -28.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.965 ' CE2' ' HB1' ' A' ' 300' ' ' ALA . 1.3 t80 -56.84 -60.69 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.749 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 307' ' ' VAL . . . . . 0.46 HG22 ' HG2' ' A' ' 301' ' ' LYS . 0.2 OUTLIER -65.91 -23.21 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -71.82 -15.44 62.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.798 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 9.2 mt -68.88 -109.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 310' ' ' ASP . . . . . 0.77 ' CG ' HD12 ' A' ' 401' ' ' LEU . 7.2 t70 -141.88 153.28 44.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . 0.572 ' H ' HD23 ' A' ' 311' ' ' LEU . 0.2 OUTLIER -56.36 -47.09 79.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . 0.859 ' HB2' HD11 ' A' ' 401' ' ' LEU . 58.3 m-80 -79.87 -59.3 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' ASP . . . . . 1.003 ' OD1' HD11 ' A' ' 406' ' ' ILE . 22.9 t0 -35.84 -52.01 0.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 314' ' ' GLN . . . . . 0.728 ' HA ' HD21 ' A' ' 317' ' ' LEU . 32.1 mt-30 -57.83 -50.68 72.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 315' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 312' ' ' ASN . 26.3 t -63.15 -47.45 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.897 HG21 ' C ' ' A' ' 399' ' ' GLY . 1.6 m -47.52 -63.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 317' ' ' LEU . . . . . 0.728 HD21 ' HA ' ' A' ' 314' ' ' GLN . 1.0 OUTLIER -46.78 -46.71 20.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 318' ' ' LEU . . . . . 0.874 HD23 ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -64.29 -46.34 84.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 315' ' ' VAL . 4.8 tptt -40.28 -43.33 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 320' ' ' TYR . . . . . 0.57 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 2.5 m-85 -116.38 3.61 13.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 321' ' ' GLY . . . . . 0.708 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -102.06 -54.05 0.93 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . 0.874 ' HB ' HD23 ' A' ' 318' ' ' LEU . 1.5 p -41.3 -25.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . 0.608 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 26.3 m170 -71.52 -45.95 61.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 324' ' ' GLU . . . . . 0.769 ' O ' ' HB ' ' A' ' 328' ' ' THR . 5.0 mt-10 -73.7 5.25 4.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 325' ' ' ILE . . . . . 0.814 ' CD1' HG22 ' A' ' 391' ' ' ILE . 1.1 mp -110.62 -47.36 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' ILE . . . . . 0.81 HD11 HG22 ' A' ' 322' ' ' VAL . 3.2 mt -77.01 -39.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.679 ' CD2' HG22 ' A' ' 446' ' ' VAL . 21.5 m-30 -76.73 -22.74 53.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' THR . . . . . 0.947 ' N ' HD11 ' A' ' 442' ' ' LEU . 0.6 OUTLIER -72.43 -60.2 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.635 ' N ' ' CG2' ' A' ' 328' ' ' THR . 19.9 ptt? -73.96 -19.83 60.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.572 ' CG ' ' O ' ' A' ' 326' ' ' ILE . 1.8 mt -49.94 -45.83 51.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' ALA . . . . . 0.8 ' HB1' ' CB ' ' A' ' 371' ' ' ALA . . . -44.3 -54.41 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . 0.908 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 56.8 m -58.27 -21.49 48.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.017 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.881 ' HG ' HD12 ' A' ' 228' ' ' LEU . 0.0 OUTLIER -94.65 17.51 13.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' MET . . . . . 0.656 ' HG3' ' HA ' ' A' ' 368' ' ' PHE . 5.8 mmt -99.79 178.02 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' ASN . . . . . 0.627 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.8 t-20 -145.67 169.67 18.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' LYS . . . . . 0.755 ' O ' ' CZ ' ' A' ' 368' ' ' PHE . 0.0 OUTLIER -49.94 -46.8 52.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' ASP . . . . . 0.547 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 0.5 OUTLIER -140.59 39.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . 0.71 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -169.93 -169.43 33.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 341' ' ' ILE . 0.1 OUTLIER -153.13 128.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 1.058 HD21 HD13 ' A' ' 237' ' ' LEU . 3.5 mm? -39.2 159.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' ILE . . . . . 0.834 HG23 ' HA ' ' A' ' 347' ' ' PHE . 1.4 pt -156.37 143.97 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 341' ' ' ILE . 10.3 m -61.42 -131.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.617 ' C ' ' H ' ' A' ' 345' ' ' GLN . 6.9 tp10 47.1 -123.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -69.07 27.6 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' GLN . . . . . 0.617 ' H ' ' C ' ' A' ' 343' ' ' GLU . 0.8 OUTLIER 38.73 81.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 0.0 110.339 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . 0.67 ' CA ' ' HB3' ' A' ' 247' ' ' PHE . . . -141.36 -132.07 2.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 1.044 ' CZ ' HG23 ' A' ' 248' ' ' VAL . 0.3 OUTLIER -168.91 133.55 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.829 ' HB3' HD21 ' A' ' 353' ' ' LEU . 9.0 mmm -88.05 115.75 25.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' THR . . . . . 0.71 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.0 p -61.97 150.49 37.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . 0.722 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 2.1 ttm180 -64.23 -51.68 62.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 355' ' ' SER . 0.0 OUTLIER -45.53 -18.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' PHE . . . . . 0.781 ' CZ ' HD12 ' A' ' 255' ' ' LEU . 0.9 OUTLIER -90.12 -62.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' LEU . . . . . 0.829 HD21 ' HB3' ' A' ' 348' ' ' MET . 0.2 OUTLIER -55.06 -52.77 62.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' LYS . . . . . 0.667 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.2 OUTLIER -61.88 -34.49 76.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 0.6 OUTLIER -54.01 75.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' LEU . . . . . 0.667 ' N ' ' O ' ' A' ' 354' ' ' LYS . 0.2 OUTLIER 174.27 -166.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 357' ' ' ARG . . . . . 0.608 ' NE ' ' OE1' ' A' ' 276' ' ' GLU . 2.4 mtt180 -26.58 124.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' LYS . . . . . 0.788 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.67 -52.73 1.42 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.788 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.3 Cg_endo -75.0 -71.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.56 1.821 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' PHE . . . . . 0.712 ' CZ ' ' CD2' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -46.86 -13.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . 0.611 ' CA ' HD12 ' A' ' 356' ' ' LEU . . . -107.61 51.05 0.75 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 362' ' ' ASP . . . . . 0.65 ' HA ' ' HG3' ' A' ' 354' ' ' LYS . 1.0 OUTLIER 169.51 61.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 109.245 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 363' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 364' ' ' MET . 0.1 OUTLIER -121.78 -8.73 8.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 364' ' ' MET . . . . . 0.538 ' HB2' ' CE1' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -125.52 0.18 7.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . 0.722 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 9.0 tp10 -68.0 -37.84 12.53 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.813 ' HB2' HG23 ' A' ' 445' ' ' ILE . 18.4 Cg_endo -74.99 -25.97 11.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 367' ' ' LYS . . . . . 0.594 ' CB ' ' CE ' ' A' ' 334' ' ' MET . 20.3 mtmm -72.28 -48.48 42.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 368' ' ' PHE . . . . . 0.755 ' CZ ' ' O ' ' A' ' 336' ' ' LYS . 0.0 OUTLIER -69.82 -39.67 76.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -58.24 -46.94 85.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 370' ' ' PHE . . . . . 1.06 ' CD2' HD11 ' A' ' 445' ' ' ILE . 0.6 OUTLIER -73.63 -33.01 64.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . 0.8 ' CB ' ' HB1' ' A' ' 331' ' ' ALA . . . -55.93 -47.99 76.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 4.7 t -61.18 -14.37 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -102.89 -25.68 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 374' ' ' PHE . . . . . 0.625 ' CZ ' ' HG3' ' A' ' 438' ' ' LYS . 0.3 OUTLIER -90.58 -35.56 14.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . 0.47 ' OD1' ' NE ' ' A' ' 234' ' ' ARG . 2.3 m-80 -55.8 -11.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -86.0 28.7 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 374' ' ' PHE . 0.8 OUTLIER -160.68 3.68 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . 0.433 ' OE1' ' OG ' ' A' ' 332' ' ' SER . 0.2 OUTLIER -81.91 128.31 33.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.811 HD12 ' CG ' ' A' ' 425' ' ' HIS . 0.4 OUTLIER -83.5 -107.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . 0.591 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 52.3 p30 -131.11 142.07 50.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 385' ' ' ALA . 10.4 m-20 -35.75 -29.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . 0.61 ' HA ' ' CD1' ' A' ' 219' ' ' TYR . 62.1 m -57.29 -67.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . 0.538 ' OD1' ' NE2' ' A' ' 420' ' ' GLN . 1.7 m-20 -58.26 -31.7 67.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.674 ' O ' ' CD2' ' A' ' 387' ' ' PHE . 9.4 mt -71.23 -58.52 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . 0.713 ' HB1' ' CG ' ' A' ' 222' ' ' TYR . . . -33.91 -38.59 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.471 ' O ' ' C ' ' A' ' 387' ' ' PHE . 2.6 mt -64.37 -59.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . 0.945 ' CD1' ' N ' ' A' ' 388' ' ' ILE . 0.1 OUTLIER -31.22 -47.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 388' ' ' ILE . . . . . 0.945 ' N ' ' CD1' ' A' ' 387' ' ' PHE . 0.2 OUTLIER -39.52 -66.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . 0.734 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -56.33 -27.79 56.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.912 HG22 ' NE2' ' A' ' 410' ' ' GLN . 1.2 t -82.16 3.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.814 HG22 ' CD1' ' A' ' 325' ' ' ILE . 21.0 mm -113.57 -19.97 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' ILE . . . . . 0.702 ' C ' ' H ' ' A' ' 394' ' ' SER . 2.6 pt -93.32 -48.44 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.852 HD23 HD11 ' A' ' 413' ' ' LEU . 1.3 mm? -64.06 15.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . 0.702 ' H ' ' C ' ' A' ' 392' ' ' ILE . 10.2 m -86.51 106.84 17.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' GLY . . . . . 0.631 ' HA3' HG22 ' A' ' 403' ' ' VAL . . . -81.26 66.71 3.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' ASP . . . . . 0.408 ' OD2' ' NH2' ' A' ' 443' ' ' ARG . 7.5 t0 -114.14 -18.0 11.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' ARG . . . . . 0.582 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -64.14 128.23 92.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 5.44 3.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . 0.897 ' C ' HG21 ' A' ' 316' ' ' THR . . . -126.45 34.97 3.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.607 HD13 ' HA2' ' A' ' 395' ' ' GLY . 21.7 mt -91.95 163.16 14.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.859 HD11 ' HB2' ' A' ' 312' ' ' ASN . 17.5 mt -110.77 -59.77 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . 0.775 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 1.7 m120 -109.95 85.11 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' VAL . . . . . 0.902 ' HA ' HD12 ' A' ' 406' ' ' ILE . 1.0 OUTLIER -78.96 -15.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.618 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -69.15 -49.5 24.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . 0.775 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.05 -26.9 10.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . 1.003 HD11 ' OD1' ' A' ' 313' ' ' ASP . 56.7 mt -60.3 -81.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -51.17 -21.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . 0.618 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 9.0 m-20 -72.03 -53.8 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' ILE . . . . . 0.765 HG22 ' HG ' ' A' ' 393' ' ' LEU . 15.7 mm -58.7 -21.67 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . 0.912 ' NE2' HG22 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -73.48 -40.29 64.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.08 -24.58 1.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.83 -57.74 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.896 HD21 HG21 ' A' ' 303' ' ' ILE . 0.2 OUTLIER -51.92 -30.03 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -47.46 59.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.556 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 45.7 mt-30 -47.49 -57.57 5.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.634 ' HB2' HD23 ' A' ' 214' ' ' LEU . . . -56.95 -47.14 81.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 1.058 HD11 ' HB2' ' A' ' 432' ' ' PHE . 0.0 OUTLIER -44.21 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' GLU . . . . . 0.985 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -54.69 -23.15 16.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 1.028 HD11 ' CD1' ' A' ' 211' ' ' LEU . 0.2 OUTLIER -66.55 -82.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' GLN . . . . . 0.637 ' NE2' ' ND2' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -55.4 -10.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.533 ' HG ' ' CE1' ' A' ' 425' ' ' HIS . 0.7 OUTLIER -88.68 -50.82 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 14.5 mtpt -72.08 -3.28 22.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.452 HD12 ' HG ' ' A' ' 419' ' ' LEU . 14.9 mt -102.21 -48.08 4.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.637 ' ND2' ' NE2' ' A' ' 420' ' ' GLN . 72.4 m-20 -73.41 -8.69 56.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.811 ' CG ' HD12 ' A' ' 379' ' ' LEU . 0.0 OUTLIER -166.0 69.38 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.617 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.612 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.98 102.89 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 428' ' ' SER . 3.9 tm-20 -172.52 134.08 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 427' ' ' GLU . 2.7 t 87.37 -152.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' SER . . . . . 0.468 ' C ' ' CG ' ' A' ' 430' ' ' GLN . 8.6 p -148.98 142.09 24.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' GLN . . . . . 0.692 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER 49.07 25.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 27.3 tp -39.94 -29.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' PHE . . . . . 1.058 ' HB2' HD11 ' A' ' 417' ' ' LEU . 37.0 p90 -85.5 -46.94 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' ALA . . . . . 0.692 ' HB3' ' HB2' ' A' ' 430' ' ' GLN . . . -39.49 -27.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.512 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 0.0 OUTLIER -97.09 -46.86 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' LEU . . . . . 0.782 HD11 HD23 ' A' ' 379' ' ' LEU . 0.4 OUTLIER -45.37 -35.07 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.651 HD21 ' HA ' ' A' ' 433' ' ' ALA . 3.6 pp -76.05 -46.04 31.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 440' ' ' THR . 1.9 mm-40 -47.75 -12.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.625 ' HG3' ' CZ ' ' A' ' 374' ' ' PHE . 0.0 OUTLIER -49.77 -23.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' MET . . . . . 0.55 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -27.02 -43.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.695 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 53.7 p -34.14 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.855 ' OD2' HD22 ' A' ' 442' ' ' LEU . 0.0 OUTLIER -41.59 -25.23 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.947 HD11 ' N ' ' A' ' 328' ' ' THR . 2.5 mm? -77.63 -87.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' A' ' 439' ' ' MET . 21.0 ttm180 -50.26 -22.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.954 ' O ' HG22 ' A' ' 447' ' ' THR . 0.0 OUTLIER -78.97 -75.54 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 1.06 HD11 ' CD2' ' A' ' 370' ' ' PHE . 9.2 mt -54.02 -34.4 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.679 HG22 ' CD2' ' A' ' 327' ' ' TYR . 52.7 t -61.64 -63.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . 0.954 HG22 ' O ' ' A' ' 444' ' ' GLN . 13.3 t -45.9 -27.15 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 451' ' ' GLN . 40.9 tt0 -73.83 -57.14 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' HIS . . . . . 0.434 ' CB ' ' HZ1' ' A' ' 367' ' ' LYS . 0.0 OUTLIER -42.15 -31.85 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' VAL . . . . . 0.627 ' O ' ' N ' ' A' ' 454' ' ' GLN . 69.3 t -80.67 -44.2 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' GLN . . . . . 0.59 ' O ' HG23 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -48.52 -23.16 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.74 -67.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 457' ' ' LYS . 0.2 OUTLIER -61.14 -18.09 56.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . 0.627 ' N ' ' O ' ' A' ' 450' ' ' VAL . 2.5 tt0 -81.46 -49.36 10.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 451' ' ' GLN . 71.1 t -71.82 -4.89 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.86 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.1 OUTLIER -104.65 -61.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.65 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 2.1 ptpp? -41.36 -29.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 1.0 OUTLIER -94.24 -39.28 10.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -127.22 46.58 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 110.377 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.86 ' N ' ' O ' ' A' ' 456' ' ' ILE . 3.7 mm-40 -42.87 169.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -71.35 -28.5 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.435 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 461' ' ' THR . 0.6 OUTLIER 169.13 49.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' MET . . . . . 0.404 ' HB3' ' O ' ' A' ' 462' ' ' ASP . 4.8 ttt 62.96 128.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.459 ' OG ' ' NH2' ' A' ' 357' ' ' ARG . 29.6 p -179.4 83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.87 ' HA ' HD11 ' A' ' 279' ' ' ILE . 0.0 OUTLIER 174.16 168.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . 1.084 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 15.3 p80 -117.76 -170.58 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . 1.084 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.3 Cg_endo -74.95 -45.76 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.81 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.514 ' O ' ' CG1' ' A' ' 472' ' ' ILE . 1.1 mt -43.6 -20.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.718 ' CD2' ' CE1' ' A' ' 466' ' ' HIS . 12.0 mt -92.89 -55.25 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -47.07 -29.57 2.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -75.79 -53.16 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . 0.514 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.1 mm -45.66 -58.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 473' ' ' TYR . 0.3 OUTLIER -54.85 -50.79 67.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 175.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.97 161.81 18.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.722 ' O ' ' HB2' ' A' ' 211' ' ' LEU . 3.4 tp10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . 0.731 ' HA ' ' HB2' ' A' ' 211' ' ' LEU . 4.7 m -84.89 -54.13 4.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.938 ' O ' ' CB ' ' A' ' 213' ' ' ALA . . . -39.02 -50.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' ASP . . . . . 0.868 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 0.0 OUTLIER -82.99 -26.03 31.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 1.154 HD22 ' CD1' ' A' ' 419' ' ' LEU . 0.2 OUTLIER -36.32 -79.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . 0.45 ' N ' HD12 ' A' ' 211' ' ' LEU . 0.3 OUTLIER -83.94 -12.7 54.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.938 ' CB ' ' O ' ' A' ' 209' ' ' ALA . . . -72.56 -67.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . 1.031 HD23 ' HB2' ' A' ' 416' ' ' ALA . 12.1 tp -53.52 -49.63 67.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -43.46 -67.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . 0.795 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -47.55 -31.97 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 220' ' ' ASP . 17.2 t60 -68.82 -70.34 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.612 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.851 HD23 ' HG ' ' A' ' 214' ' ' LEU . 3.8 mm? -36.82 -50.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' TYR . . . . . 0.853 ' CE1' HD13 ' A' ' 223' ' ' ILE . 93.5 t80 -75.47 -29.26 59.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . 0.795 ' HB2' ' O ' ' A' ' 216' ' ' LYS . 4.7 t0 -58.36 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' SER . . . . . 0.726 ' CB ' ' HB2' ' A' ' 302' ' ' SER . 49.4 m -53.34 -27.45 23.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 222' ' ' TYR . . . . . 0.68 ' HB2' ' CZ ' ' A' ' 299' ' ' TYR . 22.4 t80 -68.85 -53.56 20.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.853 HD13 ' CE1' ' A' ' 219' ' ' TYR . 1.0 OUTLIER -53.33 -11.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . 0.678 ' HD2' HG22 ' A' ' 223' ' ' ILE . 1.1 mptp? -92.27 -44.27 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . 0.704 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 31.1 t -44.04 -71.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 226' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 295' ' ' GLU . 0.0 OUTLIER -130.42 140.41 38.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 227' ' ' PRO . . . . . 1.015 ' O ' HG23 ' A' ' 229' ' ' THR . 18.3 Cg_endo -75.01 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.524 1.802 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.79 HD12 ' CD1' ' A' ' 333' ' ' LEU . 0.0 OUTLIER -51.55 119.88 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . 1.015 HG23 ' O ' ' A' ' 227' ' ' PRO . 64.7 p -131.62 -165.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . 0.511 ' CG ' ' HB3' ' A' ' 332' ' ' SER . 3.8 tmtt? -82.49 -27.09 32.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . 0.843 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -80.18 -22.06 42.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 232' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -99.95 -35.39 9.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 233' ' ' ALA . . . . . 0.629 ' O ' ' HB2' ' A' ' 237' ' ' LEU . . . -69.14 -49.14 59.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.748 ' N ' ' HD2' ' A' ' 234' ' ' ARG . 0.0 OUTLIER -75.15 -20.76 59.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . 0.888 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -60.05 -67.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.97 HD12 ' HB3' ' A' ' 246' ' ' PRO . 0.4 OUTLIER -61.36 -38.83 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 237' ' ' LEU . . . . . 0.95 HD13 HD21 ' A' ' 340' ' ' LEU . 0.3 OUTLIER -53.73 -34.59 59.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 238' ' ' THR . . . . . 0.856 ' O ' ' N ' ' A' ' 240' ' ' LYS . 0.0 OUTLIER -158.4 -38.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . 0.888 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -7.48 -51.68 0.0 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 240' ' ' LYS . . . . . 0.856 ' N ' ' O ' ' A' ' 238' ' ' THR . 0.0 OUTLIER 148.49 -83.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . 0.819 HG22 ' O ' ' A' ' 240' ' ' LYS . 13.9 t 52.41 -166.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.423 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 179.77 -33.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 243' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.56 25.33 7.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 244' ' ' LYS . . . . . 0.53 ' CG ' ' N ' ' A' ' 245' ' ' SER . 0.6 OUTLIER -130.99 -79.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 245' ' ' SER . . . . . 0.53 ' N ' ' CG ' ' A' ' 244' ' ' LYS . 23.2 p 61.23 149.55 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . 0.97 ' HB3' HD12 ' A' ' 236' ' ' ILE . 18.4 Cg_endo -74.99 108.03 2.62 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 247' ' ' PHE . . . . . 0.576 ' CB ' ' HA3' ' A' ' 346' ' ' GLY . 0.4 OUTLIER -37.18 71.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 1.106 HG13 ' CZ ' ' A' ' 347' ' ' PHE . 21.4 t -55.52 103.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 249' ' ' ILE . . . . . 0.897 HD12 HD12 ' A' ' 341' ' ' ILE . 1.2 mt -74.07 104.42 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 250' ' ' TYR . . . . . 0.83 ' CG ' ' O ' ' A' ' 250' ' ' TYR . 2.8 t80 158.72 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . 0.549 ' O ' HD12 ' A' ' 255' ' ' LEU . 2.1 p-10 -155.28 -178.0 6.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 252' ' ' MET . . . . . 0.494 ' O ' ' CB ' ' A' ' 256' ' ' MET . 0.0 OUTLIER -52.84 -48.29 67.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.54 ' OD1' ' CZ ' ' A' ' 247' ' ' PHE . 27.1 t-20 -57.45 -66.14 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 254' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 258' ' ' GLY . 54.2 p -35.72 -65.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 255' ' ' LEU . . . . . 0.646 ' O ' ' C ' ' A' ' 256' ' ' MET . 1.4 mt -59.81 -81.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 256' ' ' MET . . . . . 0.646 ' C ' ' O ' ' A' ' 255' ' ' LEU . 17.5 ttt -5.39 -66.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 257' ' ' MET . . . . . 0.604 ' N ' ' O ' ' A' ' 255' ' ' LEU . 0.0 OUTLIER -89.02 -48.64 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.046 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 258' ' ' GLY . . . . . 0.753 ' O ' ' CB ' ' A' ' 259' ' ' GLU . . . -23.5 19.62 0.0 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.753 ' CB ' ' O ' ' A' ' 258' ' ' GLY . 31.3 mt-10 117.85 34.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 0.751 . . . . 0.0 110.262 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . 0.869 ' O ' ' HB2' ' A' ' 261' ' ' LYS . 0.0 OUTLIER 73.84 33.63 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 261' ' ' LYS . . . . . 0.9 ' O ' HG22 ' A' ' 262' ' ' ILE . 0.0 OUTLIER 95.35 42.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.9 HG22 ' O ' ' A' ' 261' ' ' LYS . 0.3 OUTLIER 60.69 21.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 262' ' ' ILE . 0.0 OUTLIER 88.05 59.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 264' ' ' PHE . . . . . 0.555 ' O ' ' C ' ' A' ' 265' ' ' LYS . 39.1 t80 -123.88 -75.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 264' ' ' PHE . 7.5 tttm 27.74 60.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 266' ' ' HIS . . . . . 0.508 ' O ' ' CZ ' ' A' ' 264' ' ' PHE . 1.4 m-70 165.69 161.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.551 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.67 HG22 ' O ' ' A' ' 267' ' ' ILE . 2.1 mp -131.6 78.36 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 268' ' ' THR . . . . . 1.001 HG23 ' HD2' ' A' ' 269' ' ' PRO . 0.9 OUTLIER -143.06 155.01 62.28 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . 1.001 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.2 Cg_endo -74.97 47.89 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.969 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.0 OUTLIER -81.24 -172.4 3.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 271' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 270' ' ' LEU . 0.0 OUTLIER 159.24 85.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.44 87.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 273' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 274' ' ' SER . 15.1 mm-40 -40.03 157.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 273' ' ' GLN . 0.9 OUTLIER 84.51 -57.73 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.431 ' HA ' HG21 ' A' ' 279' ' ' ILE . 16.7 mtmm -94.94 113.66 25.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 276' ' ' GLU . . . . . 0.698 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 0.3 OUTLIER -112.43 -179.65 3.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 277' ' ' VAL . . . . . 0.849 HG13 ' HB3' ' A' ' 356' ' ' LEU . 2.4 p -56.47 -15.29 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . 0.73 ' O ' ' N ' ' A' ' 282' ' ' PHE . . . -83.56 -68.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 0.532 HD11 ' O ' ' A' ' 464' ' ' SER . 0.4 OUTLIER -37.63 -31.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . 0.563 ' HG2' HD11 ' A' ' 262' ' ' ILE . 11.0 tpt180 -76.97 -55.15 5.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 281' ' ' ILE . . . . . 0.627 HG21 HD21 ' A' ' 356' ' ' LEU . 0.5 OUTLIER -75.51 -43.43 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 282' ' ' PHE . . . . . 0.739 ' CE1' ' CE1' ' A' ' 360' ' ' PHE . 79.6 t80 -53.01 -46.58 68.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 283' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 280' ' ' ARG . 6.4 pt20 -66.94 -34.56 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 284' ' ' GLY . . . . . 0.459 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -81.1 -58.82 2.54 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 285' ' ' CYS . . . . . 0.563 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.5 OUTLIER -53.7 -15.96 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 286' ' ' GLN . . . . . 0.459 ' N ' ' C ' ' A' ' 284' ' ' GLY . 0.0 OUTLIER -105.97 -24.44 12.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 287' ' ' PHE . . . . . 0.572 ' O ' HG22 ' A' ' 290' ' ' VAL . 24.5 t80 -53.65 -32.48 51.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -19.0 61.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 289' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 293' ' ' VAL . 23.9 t -86.88 -55.08 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.005 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 290' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.7 m -49.91 -29.42 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 294' ' ' GLN . 45.1 mt-10 -78.58 -59.67 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . 0.94 ' O ' HD12 ' A' ' 296' ' ' ILE . . . -34.44 -56.24 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . 0.768 ' HA ' HG21 ' A' ' 322' ' ' VAL . 54.2 t -39.91 -46.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 291' ' ' GLU . 1.6 mt-30 -73.85 -27.32 61.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.237 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 295' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 292' ' ' ALA . 8.4 mt-10 -75.73 -50.81 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . 0.94 HD12 ' O ' ' A' ' 292' ' ' ALA . 3.3 mp -44.84 -62.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 297' ' ' THR . . . . . 0.453 ' HA ' ' HB3' ' A' ' 300' ' ' ALA . 0.9 OUTLIER -40.23 -61.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.31 -28.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 299' ' ' TYR . . . . . 0.783 ' O ' ' CB ' ' A' ' 302' ' ' SER . 0.8 OUTLIER -103.13 -44.28 5.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.756 ' C ' ' H ' ' A' ' 302' ' ' SER . . . -46.11 -55.48 6.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' LYS . . . . . 0.462 ' HA ' HG22 ' A' ' 307' ' ' VAL . 10.2 mttm -53.42 2.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 299' ' ' TYR . 16.9 t -74.18 -40.14 62.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.017 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 303' ' ' ILE . . . . . 0.995 ' CG2' HD21 ' A' ' 413' ' ' LEU . 1.3 mt -59.99 128.78 87.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 45.62 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . 0.54 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -165.45 -27.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.78 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 55.2 t80 -54.46 -60.1 3.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 307' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 301' ' ' LYS . 0.1 OUTLIER -65.11 -22.53 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -75.45 -14.35 60.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' A' ' 306' ' ' PHE . 10.4 mt -68.84 -109.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 310' ' ' ASP . . . . . 0.816 ' CG ' HD12 ' A' ' 401' ' ' LEU . 7.6 t70 -145.01 152.21 39.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.97 -47.7 74.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . 0.832 ' HB2' HD11 ' A' ' 401' ' ' LEU . 62.5 m-80 -78.56 -57.89 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 313' ' ' ASP . . . . . 0.986 ' OD1' HD11 ' A' ' 406' ' ' ILE . 24.1 t0 -38.37 -53.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 314' ' ' GLN . . . . . 0.577 ' HG3' ' HB2' ' A' ' 309' ' ' LEU . 23.1 mt-30 -53.98 -49.72 68.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 315' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.72 -49.21 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.893 HG21 ' C ' ' A' ' 399' ' ' GLY . 1.2 m -43.08 -65.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 317' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 321' ' ' GLY . 0.2 OUTLIER -45.19 -52.34 9.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 318' ' ' LEU . . . . . 0.905 HD23 ' HB ' ' A' ' 322' ' ' VAL . 0.2 OUTLIER -56.92 -49.31 75.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -39.68 -42.92 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 320' ' ' TYR . . . . . 0.513 ' HB2' ' CG ' ' A' ' 397' ' ' ARG . 6.4 m-85 -113.89 5.97 16.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 321' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 317' ' ' LEU . . . -109.35 -52.02 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . 0.905 ' HB ' HD23 ' A' ' 318' ' ' LEU . 1.5 p -41.2 -27.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . 0.552 ' O ' ' CD1' ' A' ' 327' ' ' TYR . 61.9 m170 -71.73 -45.76 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 324' ' ' GLU . . . . . 0.84 ' HA ' HD12 ' A' ' 442' ' ' LEU . 4.1 mt-10 -74.12 2.97 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 325' ' ' ILE . . . . . 0.973 HD12 HG22 ' A' ' 391' ' ' ILE . 0.8 OUTLIER -105.62 -49.03 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' ILE . . . . . 0.779 HG12 ' HB1' ' A' ' 292' ' ' ALA . 1.6 mt -72.13 -36.8 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.907 ' CD2' HG22 ' A' ' 446' ' ' VAL . 5.7 m-85 -75.83 -29.2 58.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' THR . . . . . 0.925 ' HA ' HD21 ' A' ' 442' ' ' LEU . 0.7 OUTLIER -62.29 -58.87 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.612 ' N ' ' CG2' ' A' ' 328' ' ' THR . 25.7 ptm -79.92 -19.33 48.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.598 ' HB2' ' HA ' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -43.92 -46.81 8.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' ALA . . . . . 1.25 ' HB2' ' CE2' ' A' ' 370' ' ' PHE . . . -48.38 -48.96 36.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . 0.737 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 0.9 OUTLIER -59.08 -14.66 10.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.79 ' CD1' HD12 ' A' ' 228' ' ' LEU . 2.3 mm? -100.11 18.35 18.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' MET . . . . . 0.716 ' HB2' ' O ' ' A' ' 331' ' ' ALA . 0.0 OUTLIER -93.41 -172.88 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' ASN . . . . . 0.773 ' O ' ' CE1' ' A' ' 368' ' ' PHE . 8.8 t-20 -158.76 169.55 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' LYS . . . . . 0.571 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.0 OUTLIER -55.81 -53.74 53.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 335' ' ' ASN . 1.6 m-20 -130.68 37.7 3.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . 0.765 ' CA ' ' HA ' ' A' ' 349' ' ' THR . . . -171.25 -161.69 22.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . 0.639 ' O ' HG23 ' A' ' 341' ' ' ILE . 25.8 m -157.0 125.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.779 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 0.95 HD21 HD13 ' A' ' 237' ' ' LEU . 2.2 mm? -36.36 157.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' ILE . . . . . 0.897 HD12 HD12 ' A' ' 249' ' ' ILE . 0.7 OUTLIER -156.84 153.47 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 35.0 m -72.43 -39.84 67.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 345' ' ' GLN . 5.5 mm-40 -43.34 121.5 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' A' ' 247' ' ' PHE . . . 41.45 25.36 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 343' ' ' GLU . 67.6 mt-30 43.8 83.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . 0.576 ' HA3' ' CB ' ' A' ' 247' ' ' PHE . . . -152.61 -127.4 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 1.106 ' CZ ' HG13 ' A' ' 248' ' ' VAL . 0.1 OUTLIER -169.61 134.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 0.755 . . . . 0.0 110.968 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.811 ' HG2' HD23 ' A' ' 353' ' ' LEU . 30.1 ttm -90.85 121.19 32.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' THR . . . . . 0.765 ' HA ' ' CA ' ' A' ' 338' ' ' GLY . 2.7 p -64.84 146.37 54.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . 0.703 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 10.6 ttm180 -53.33 -51.67 61.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' GLU . . . . . 0.559 ' O ' ' CB ' ' A' ' 355' ' ' SER . 1.8 pt-20 -53.25 -14.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' PHE . . . . . 0.493 ' O ' ' HB3' ' A' ' 355' ' ' SER . 7.0 t80 -91.48 -66.96 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' LEU . . . . . 0.811 HD23 ' HG2' ' A' ' 348' ' ' MET . 0.3 OUTLIER -49.9 -54.25 20.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' LYS . . . . . 0.726 ' O ' ' N ' ' A' ' 356' ' ' LEU . 0.3 OUTLIER -61.04 -38.9 87.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 351' ' ' GLU . 0.3 OUTLIER -50.24 75.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' LEU . . . . . 0.849 ' HB3' HG13 ' A' ' 277' ' ' VAL . 0.3 OUTLIER 176.14 -169.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 357' ' ' ARG . . . . . 0.698 ' CZ ' ' OE1' ' A' ' 276' ' ' GLU . 0.6 OUTLIER -18.74 124.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' LYS . . . . . 0.799 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -35.42 -58.22 0.82 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.799 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.4 Cg_endo -75.0 -67.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' PHE . . . . . 0.739 ' CE1' ' CE1' ' A' ' 282' ' ' PHE . 0.1 OUTLIER -49.11 -9.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . 0.676 ' CA ' HD12 ' A' ' 356' ' ' LEU . . . -129.13 53.18 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 362' ' ' ASP . . . . . 0.512 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 14.3 t70 172.9 45.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 363' ' ' PHE . . . . . 1.141 ' CD2' HD13 ' A' ' 452' ' ' LEU . 0.9 OUTLIER -138.88 16.99 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 364' ' ' MET . . . . . 0.839 ' C ' ' HD2' ' A' ' 366' ' ' PRO . 2.4 mpp? -117.47 9.38 13.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . 0.92 ' N ' ' CD ' ' A' ' 366' ' ' PRO . 5.9 tp10 -78.82 -18.41 0.27 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.92 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.3 Cg_endo -75.03 -43.19 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.554 1.818 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 367' ' ' LYS . . . . . 0.473 ' O ' ' HE2' ' A' ' 334' ' ' MET . 0.7 OUTLIER -76.94 -37.52 55.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 368' ' ' PHE . . . . . 0.773 ' CE1' ' O ' ' A' ' 335' ' ' ASN . 1.7 t80 -59.17 -58.26 9.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 373' ' ' LYS . 1.0 OUTLIER -59.57 -57.86 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 370' ' ' PHE . . . . . 1.25 ' CE2' ' HB2' ' A' ' 331' ' ' ALA . 0.1 OUTLIER -36.8 -47.75 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . 0.854 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -66.26 -46.72 76.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 372' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 369' ' ' GLU . 54.3 t -56.47 -18.09 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 369' ' ' GLU . 0.0 OUTLIER -104.78 -23.38 13.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 374' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' A' ' 370' ' ' PHE . 0.8 OUTLIER -91.23 -39.69 11.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . 0.482 ' CG ' ' O ' ' A' ' 371' ' ' ALA . 15.3 m120 -52.12 -15.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 374' ' ' PHE . . . -87.79 32.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 374' ' ' PHE . 0.7 OUTLIER -175.09 4.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . 0.596 ' OE2' ' CB ' ' A' ' 332' ' ' SER . 2.1 mt-10 -69.65 128.15 35.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.625 HD23 ' CD2' ' A' ' 425' ' ' HIS . 0.3 OUTLIER -82.91 -139.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . 0.584 ' O ' ' HG ' ' A' ' 384' ' ' LEU . 33.8 p30 -106.51 144.34 33.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . 0.647 ' HA ' HD12 ' A' ' 384' ' ' LEU . 12.4 m-20 -35.99 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . 0.565 ' HB3' ' NE2' ' A' ' 420' ' ' GLN . 4.9 m -58.27 -61.43 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . 0.496 ' OD2' ' HB3' ' A' ' 379' ' ' LEU . 17.6 m-20 -59.2 -28.5 66.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 381' ' ' ASP . 3.8 mt -75.37 -57.63 3.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . 0.606 ' HB2' ' CD2' ' A' ' 222' ' ' TYR . . . -35.7 -47.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.529 HD13 ' HB1' ' A' ' 416' ' ' ALA . 8.9 mt -61.26 -60.2 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . 0.649 ' CD2' HD11 ' A' ' 391' ' ' ILE . 3.4 t80 -33.75 -44.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 388' ' ' ILE . . . . . 0.791 ' CG1' HG23 ' A' ' 325' ' ' ILE . 0.4 OUTLIER -48.58 -64.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . 0.956 ' HB1' HD13 ' A' ' 413' ' ' LEU . . . -48.92 -45.29 41.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.832 HG22 HD12 ' A' ' 414' ' ' LEU . 1.0 OUTLIER -58.57 -25.6 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.973 HG22 HD12 ' A' ' 325' ' ' ILE . 27.7 mt -87.62 -18.51 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' ILE . . . . . 0.763 HG22 HD23 ' A' ' 393' ' ' LEU . 60.5 mt -68.48 -76.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.937 HD11 HG22 ' A' ' 409' ' ' ILE . 0.1 OUTLIER -62.95 92.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . 0.624 ' O ' ' N ' ' A' ' 396' ' ' ASP . 5.0 m -126.46 87.77 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' GLY . . . . . 0.616 ' HA2' HG22 ' A' ' 403' ' ' VAL . . . -61.44 60.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 394' ' ' SER . 10.6 t70 -131.86 -23.08 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' ARG . . . . . 0.557 ' CB ' ' HG ' ' A' ' 400' ' ' LEU . 0.0 OUTLIER -64.67 127.32 92.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 7.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . 0.893 ' C ' HG21 ' A' ' 316' ' ' THR . . . -125.94 33.39 3.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.557 ' HG ' ' CB ' ' A' ' 397' ' ' ARG . 17.3 mt -95.22 156.65 16.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.832 HD11 ' HB2' ' A' ' 312' ' ' ASN . 20.3 mt -109.82 -58.25 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . 0.744 ' C ' ' HD2' ' A' ' 405' ' ' PRO . 1.5 m120 -108.32 83.01 1.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' VAL . . . . . 0.854 ' HA ' HD12 ' A' ' 406' ' ' ILE . 1.0 OUTLIER -79.46 -15.91 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.732 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.0 OUTLIER -68.72 -50.27 25.14 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . 0.744 ' HD2' ' C ' ' A' ' 402' ' ' ASN . 18.3 Cg_endo -75.03 -26.37 10.93 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . 0.986 HD11 ' OD1' ' A' ' 313' ' ' ASP . 61.5 mt -59.93 -83.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' GLU . . . . . 0.425 ' N ' HG22 ' A' ' 406' ' ' ILE . 51.2 mt-10 -51.09 -23.05 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . 0.732 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 10.7 m-20 -73.49 -57.42 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' ILE . . . . . 0.937 HG22 HD11 ' A' ' 393' ' ' LEU . 33.2 mm -56.97 -18.25 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . 0.797 ' N ' HD12 ' A' ' 393' ' ' LEU . 0.0 OUTLIER -76.78 -41.1 45.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -45.91 -24.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.7 OUTLIER -85.96 -51.39 6.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.995 HD21 ' CG2' ' A' ' 303' ' ' ILE . 2.4 mt -55.75 -40.19 72.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.832 HD12 HG22 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -61.54 -46.55 89.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.588 ' O ' ' CB ' ' A' ' 419' ' ' LEU . 40.5 mt-30 -51.21 -57.7 8.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 1.031 ' HB2' HD23 ' A' ' 214' ' ' LEU . . . -52.69 -45.87 67.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 1.002 ' C ' HD22 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -47.23 -81.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' GLU . . . . . 0.925 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.5 OUTLIER -55.34 -19.27 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 1.154 ' CD1' HD22 ' A' ' 211' ' ' LEU . 0.3 OUTLIER -69.07 -78.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' GLN . . . . . 0.707 ' N ' HD23 ' A' ' 419' ' ' LEU . 0.0 OUTLIER -59.28 -10.9 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.709 ' C ' HD23 ' A' ' 421' ' ' LEU . 1.4 tt -89.94 -49.48 6.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 426' ' ' PRO . 12.0 ttpp -71.53 -3.37 20.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.531 ' O ' ' HD3' ' A' ' 426' ' ' PRO . 10.9 mt -103.87 -42.22 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.665 HD22 ' NE2' ' A' ' 420' ' ' GLN . 31.4 m-20 -77.22 -9.05 58.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.625 ' CD2' HD23 ' A' ' 379' ' ' LEU . 0.1 OUTLIER -159.73 61.59 1.74 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.614 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.544 ' HB3' ' O ' ' A' ' 422' ' ' LYS . 18.2 Cg_endo -75.09 106.22 2.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.487 1.783 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 426' ' ' PRO . 0.0 OUTLIER 168.46 66.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . 0.4 ' OG ' ' HB2' ' A' ' 431' ' ' LEU . 23.2 t -179.05 -173.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 1.6 m -108.65 -94.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' GLN . . . . . 0.636 ' CB ' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -97.72 29.36 3.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 431' ' ' LEU . 0.3 OUTLIER -40.21 -44.71 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' PHE . . . . . 0.659 ' C ' ' CD1' ' A' ' 432' ' ' PHE . 0.1 OUTLIER -70.62 -35.23 72.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.016 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' ALA . . . . . 0.636 ' HB3' ' CB ' ' A' ' 430' ' ' GLN . . . -66.97 -21.81 65.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 431' ' ' LEU . 0.0 OUTLIER -100.41 -12.32 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' LEU . . . . . 0.792 ' O ' HD12 ' A' ' 435' ' ' LEU . 0.8 OUTLIER -78.06 -37.71 46.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.661 HD12 ' HG2' ' A' ' 437' ' ' GLN . 1.6 pp -71.92 -46.04 59.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' GLN . . . . . 0.661 ' HG2' HD12 ' A' ' 436' ' ' LEU . 1.6 mt-30 -46.94 -14.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.594 ' HD2' ' CZ ' ' A' ' 374' ' ' PHE . 16.9 mmtp -51.27 -25.24 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' MET . . . . . 0.636 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -23.53 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.99 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.616 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 71.8 p -32.62 -90.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.78 ' OD1' HD11 ' A' ' 445' ' ' ILE . 1.1 m-20 -42.59 -23.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.925 HD21 ' HA ' ' A' ' 328' ' ' THR . 0.7 OUTLIER -77.04 -79.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 439' ' ' MET . 3.4 ttt180 -58.77 -24.74 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.824 ' O ' HG22 ' A' ' 447' ' ' THR . 0.0 OUTLIER -73.95 -71.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.807 HG23 ' HB2' ' A' ' 366' ' ' PRO . 28.7 mt -51.94 -29.61 11.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.907 HG22 ' CD2' ' A' ' 327' ' ' TYR . 3.3 t -61.12 -68.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . 0.824 HG22 ' O ' ' A' ' 444' ' ' GLN . 6.1 t -44.11 -26.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 451' ' ' GLN . 4.1 tt0 -76.11 -56.88 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -46.14 -25.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' VAL . . . . . 0.692 ' O ' ' N ' ' A' ' 454' ' ' GLN . 24.1 t -90.01 -35.84 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 455' ' ' VAL . 5.4 mt-30 -51.59 -26.45 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 1.141 HD13 ' CD2' ' A' ' 363' ' ' PHE . 0.0 OUTLIER -95.03 -50.56 5.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.882 HD12 ' O ' ' A' ' 453' ' ' LEU . 0.2 OUTLIER -69.56 -12.65 61.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . 0.703 ' O ' ' CG ' ' A' ' 458' ' ' LYS . 32.2 tt0 -93.55 -47.67 6.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 451' ' ' GLN . 93.8 t -69.32 -12.35 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.856 HD12 ' N ' ' A' ' 457' ' ' LYS . 2.4 pp -101.27 -52.34 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.856 ' N ' HD12 ' A' ' 456' ' ' ILE . 0.0 OUTLIER -57.89 -13.92 5.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.703 ' CG ' ' O ' ' A' ' 454' ' ' GLN . 0.0 OUTLIER -108.02 -37.26 6.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 459' ' ' THR . 6.5 m -142.86 55.65 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.643 ' N ' ' O ' ' A' ' 456' ' ' ILE . 1.5 mm-40 -48.04 172.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -63.95 -26.71 68.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.373 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' A' ' 461' ' ' THR . 3.0 t0 169.73 49.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' MET . . . . . 0.445 ' HG2' ' N ' ' A' ' 464' ' ' SER . 0.6 OUTLIER 60.9 139.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.532 ' O ' HD11 ' A' ' 279' ' ' ILE . 3.1 t 179.8 54.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.779 HD21 HD13 ' A' ' 469' ' ' LEU . 0.1 OUTLIER -175.17 -128.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . 0.972 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 10.6 p80 -167.51 -176.64 0.48 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . 0.972 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.2 Cg_endo -74.99 -40.03 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.503 ' O ' ' CG1' ' A' ' 472' ' ' ILE . 1.5 mt -45.09 -20.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.779 HD13 HD21 ' A' ' 465' ' ' LEU . 0.0 OUTLIER -90.44 -55.98 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -48.52 -28.64 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -75.51 -54.16 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' A' ' 468' ' ' LEU . 1.0 OUTLIER -41.81 -57.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' TYR . . . . . 0.594 ' CE1' ' HE2' ' A' ' 457' ' ' LYS . 7.5 t80 -56.71 -51.67 67.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 474' ' ' LYS . 0.0 OUTLIER -52.73 -174.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -141.82 -64.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.764 ' N ' ' HG ' ' A' ' 211' ' ' LEU . 3.9 tp10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . 0.847 ' O ' ' O ' ' A' ' 209' ' ' ALA . 44.2 m -27.48 -89.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.847 ' O ' ' O ' ' A' ' 208' ' ' SER . . . 1.21 -127.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' ASP . . . . . 0.692 ' HA ' ' HB3' ' A' ' 213' ' ' ALA . 3.3 m-20 -100.71 -6.28 25.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 1.051 ' HA ' HD21 ' A' ' 419' ' ' LEU . 0.1 OUTLIER -59.51 -55.99 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . 0.685 ' HG2' ' N ' ' A' ' 207' ' ' GLU . 17.3 mmt-85 -95.63 -19.38 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . 0.692 ' HB3' ' HA ' ' A' ' 210' ' ' ASP . . . -75.3 -65.59 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . 0.673 HD23 ' CB ' ' A' ' 416' ' ' ALA . 29.7 tp -61.16 -47.74 84.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 211' ' ' LEU . . . -44.01 -67.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' LYS . . . . . 0.662 ' O ' ' CB ' ' A' ' 220' ' ' ASP . 0.0 OUTLIER -38.45 -36.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 220' ' ' ASP . 14.9 t60 -80.52 -70.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.593 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 386' ' ' ILE . 0.3 OUTLIER -42.86 -52.33 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' TYR . . . . . 0.546 ' CD2' HG12 ' A' ' 223' ' ' ILE . 5.0 t80 -69.46 -28.77 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.956 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' ASP . . . . . 0.662 ' CB ' ' O ' ' A' ' 216' ' ' LYS . 0.4 OUTLIER -57.47 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' SER . . . . . 0.891 ' OG ' ' HD1' ' A' ' 299' ' ' TYR . 3.6 p -52.75 -27.73 19.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 222' ' ' TYR . . . . . 0.702 ' HB2' ' CE1' ' A' ' 299' ' ' TYR . 30.3 t80 -69.53 -56.19 8.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.546 HG12 ' CD2' ' A' ' 219' ' ' TYR . 5.8 mm -56.11 -8.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 220' ' ' ASP . 0.6 OUTLIER -96.9 -41.11 8.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 225' ' ' SER . . . . . 0.588 ' HB2' ' HB2' ' A' ' 299' ' ' TYR . 43.0 t -63.13 -89.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 226' ' ' PHE . . . . . 0.498 ' HD2' ' CE1' ' A' ' 222' ' ' TYR . 0.6 OUTLIER -76.08 114.48 37.83 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.984 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 227' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -45.5 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.7 HD13 ' HB2' ' A' ' 232' ' ' LYS . 0.2 OUTLIER -93.17 88.44 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . 0.42 ' HB ' ' CG ' ' A' ' 381' ' ' ASP . 25.2 p -81.85 -165.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . 0.646 ' HB3' HD12 ' A' ' 384' ' ' LEU . 0.0 OUTLIER -74.6 -25.53 59.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . 0.62 ' O ' ' HB2' ' A' ' 235' ' ' ALA . . . -73.68 -41.51 62.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 232' ' ' LYS . . . . . 0.7 ' HB2' HD13 ' A' ' 228' ' ' LEU . 1.3 mttm -73.45 -41.25 63.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 233' ' ' ALA . . . . . 0.585 ' HA ' ' HG ' ' A' ' 340' ' ' LEU . . . -66.35 -46.57 76.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.941 ' CZ ' ' O ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -76.82 -1.17 26.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . 1.113 ' O ' ' N ' ' A' ' 239' ' ' GLY . . . -80.94 -53.83 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.623 ' O ' ' CA ' ' A' ' 245' ' ' SER . 0.0 OUTLIER -74.9 -35.78 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 237' ' ' LEU . . . . . 1.031 HD13 HD21 ' A' ' 340' ' ' LEU . 0.3 OUTLIER -60.13 -20.42 58.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 238' ' ' THR . . . . . 0.539 ' HB ' ' O ' ' A' ' 237' ' ' LEU . 0.9 OUTLIER 171.78 30.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.356 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 239' ' ' GLY . . . . . 1.113 ' N ' ' O ' ' A' ' 235' ' ' ALA . . . -122.67 48.33 0.96 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 240' ' ' LYS . . . . . 0.753 ' HB2' ' O ' ' A' ' 239' ' ' GLY . 0.0 OUTLIER 111.81 -125.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 109.333 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 243' ' ' ASP . 0.2 OUTLIER 47.78 19.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.688 HG22 ' N ' ' A' ' 243' ' ' ASP . 0.5 OUTLIER 61.25 -68.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 243' ' ' ASP . . . . . 0.688 ' N ' HG22 ' A' ' 242' ' ' THR . 0.2 OUTLIER -65.66 -9.69 29.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 244' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 240' ' ' LYS . 0.5 OUTLIER 55.16 33.69 21.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 245' ' ' SER . . . . . 0.623 ' CA ' ' O ' ' A' ' 236' ' ' ILE . 1.5 m -170.81 138.72 1.26 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . 0.634 ' HG2' ' CD2' ' A' ' 347' ' ' PHE . 18.3 Cg_endo -75.04 153.93 41.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.523 1.802 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 247' ' ' PHE . . . . . 0.709 ' O ' ' CD1' ' A' ' 347' ' ' PHE . 0.7 OUTLIER -107.56 -133.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 248' ' ' VAL . . . . . 1.039 HG22 ' H ' ' A' ' 347' ' ' PHE . 0.7 OUTLIER 51.43 -159.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 249' ' ' ILE . . . . . 1.208 ' O ' ' HA ' ' A' ' 348' ' ' MET . 1.1 pt -163.28 -40.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 250' ' ' TYR . . . . . 0.838 ' CB ' ' O ' ' A' ' 249' ' ' ILE . 65.1 t80 133.48 27.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 255' ' ' LEU . 45.0 p-10 -80.18 -169.69 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 252' ' ' MET . . . . . 0.478 ' O ' ' CG ' ' A' ' 256' ' ' MET . 5.5 mmt -38.36 -62.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -41.68 -66.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 254' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 255' ' ' LEU . 0.1 OUTLIER -58.41 -69.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.037 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 255' ' ' LEU . . . . . 0.642 HD12 ' CE2' ' A' ' 250' ' ' TYR . 1.2 tt -36.4 -54.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 256' ' ' MET . . . . . 0.508 ' O ' ' CB ' ' A' ' 260' ' ' ASP . 3.2 mmt -45.54 -79.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 257' ' ' MET . . . . . 0.695 ' O ' ' N ' ' A' ' 262' ' ' ILE . 1.8 mmt -45.33 -28.83 0.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 258' ' ' GLY . . . . . 1.034 ' O ' ' N ' ' A' ' 261' ' ' LYS . . . -84.32 -99.44 0.62 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.545 ' OE1' ' CZ ' ' A' ' 280' ' ' ARG . 5.9 tt0 -27.24 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 260' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 258' ' ' GLY . 3.9 t0 -78.96 -24.3 43.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 261' ' ' LYS . . . . . 1.034 ' N ' ' O ' ' A' ' 258' ' ' GLY . 0.1 OUTLIER 76.81 32.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 262' ' ' ILE . . . . . 0.813 HG23 ' C ' ' A' ' 261' ' ' LYS . 0.6 OUTLIER 83.47 -29.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 262' ' ' ILE . 0.8 OUTLIER 161.3 69.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 264' ' ' PHE . . . . . 0.522 ' CB ' ' HB2' ' A' ' 261' ' ' LYS . 15.4 t80 -129.51 118.62 22.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 264' ' ' PHE . 0.0 OUTLIER -40.03 122.1 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -113.21 -65.94 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.599 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 267' ' ' ILE . 34.7 mm 64.52 122.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 268' ' ' THR . . . . . 1.041 HG22 ' HG ' ' A' ' 270' ' ' LEU . 0.5 OUTLIER -149.65 174.48 3.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.436 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 269' ' ' PRO . . . . . 0.843 ' HD2' HG23 ' A' ' 268' ' ' THR . 18.4 Cg_endo -74.97 52.36 3.02 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.515 1.797 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 1.041 ' HG ' HG22 ' A' ' 268' ' ' THR . 0.0 OUTLIER -85.07 178.29 7.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 271' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' A' ' 270' ' ' LEU . 0.0 OUTLIER 158.38 -179.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -65.99 67.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 273' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 271' ' ' GLN . 0.0 OUTLIER -178.19 -65.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.94 150.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 275' ' ' LYS . . . . . 0.729 ' CD ' HG21 ' A' ' 279' ' ' ILE . 0.0 OUTLIER -64.26 -124.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 276' ' ' GLU . . . . . 0.709 ' OE1' ' CZ ' ' A' ' 357' ' ' ARG . 0.7 OUTLIER -132.39 160.31 36.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 277' ' ' VAL . . . . . 0.636 HG22 HD22 ' A' ' 356' ' ' LEU . 3.1 p -41.27 -27.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . 0.885 ' HB2' ' HB2' ' A' ' 357' ' ' ARG . . . -69.74 -73.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 0.729 HG21 ' CD ' ' A' ' 275' ' ' LYS . 1.2 mp -36.04 -31.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . 0.545 ' CZ ' ' OE1' ' A' ' 259' ' ' GLU . 0.0 OUTLIER -76.19 -58.98 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 281' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 285' ' ' CYS . 1.1 mp -64.36 -47.43 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 282' ' ' PHE . . . . . 0.684 ' HB2' ' CD2' ' A' ' 360' ' ' PHE . 5.4 t80 -52.45 -47.08 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 283' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 287' ' ' PHE . 1.5 tt0 -60.36 -35.79 76.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 284' ' ' GLY . . . . . 0.503 ' C ' ' N ' ' A' ' 286' ' ' GLN . . . -84.75 -54.53 2.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 285' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 281' ' ' ILE . 0.7 OUTLIER -51.0 -16.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 286' ' ' GLN . . . . . 0.503 ' N ' ' C ' ' A' ' 284' ' ' GLY . 25.2 tt0 -110.29 -26.17 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 287' ' ' PHE . . . . . 0.619 ' CZ ' ' CD ' ' A' ' 291' ' ' GLU . 20.8 t80 -52.03 -30.48 25.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 288' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -20.19 63.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 289' ' ' SER . . . . . . . . . . . . . 35.2 t -88.47 -54.02 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 290' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 287' ' ' PHE . 2.3 m -51.57 -32.36 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . 0.619 ' CD ' ' CZ ' ' A' ' 287' ' ' PHE . 51.6 mt-10 -77.24 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . 0.923 ' O ' HD12 ' A' ' 296' ' ' ILE . . . -33.59 -59.28 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . 0.696 ' HA ' HG21 ' A' ' 322' ' ' VAL . 8.9 t -38.87 -46.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 294' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 291' ' ' GLU . 2.5 mt-30 -73.25 -26.22 61.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 295' ' ' GLU . . . . . 0.676 ' N ' ' O ' ' A' ' 292' ' ' ALA . 15.2 mm-40 -77.13 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 296' ' ' ILE . . . . . 0.923 HD12 ' O ' ' A' ' 292' ' ' ALA . 4.4 mp -39.63 -63.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 297' ' ' THR . . . . . 0.568 HG23 ' CD ' ' A' ' 301' ' ' LYS . 0.9 OUTLIER -42.06 -58.92 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -27.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 299' ' ' TYR . . . . . 0.891 ' HD1' ' OG ' ' A' ' 221' ' ' SER . 0.2 OUTLIER -103.03 -57.57 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.79 ' C ' ' H ' ' A' ' 302' ' ' SER . . . -44.06 -44.46 7.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' LYS . . . . . 0.568 ' CD ' HG23 ' A' ' 297' ' ' THR . 14.5 mttm -46.81 -2.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 302' ' ' SER . . . . . 0.79 ' H ' ' C ' ' A' ' 300' ' ' ALA . 1.2 p -74.08 -41.42 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 303' ' ' ILE . . . . . 0.702 HG21 ' CG2' ' A' ' 409' ' ' ILE . 1.1 mt -62.54 121.52 67.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 304' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.31 3.59 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . 0.616 ' O ' ' HG ' ' A' ' 309' ' ' LEU . . . -174.41 -27.43 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 306' ' ' PHE . . . . . 0.836 ' O ' ' HG ' ' A' ' 309' ' ' LEU . 45.9 t80 -54.44 -63.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 307' ' ' VAL . . . . . 0.481 ' O ' ' NE2' ' A' ' 314' ' ' GLN . 0.1 OUTLIER -69.75 -20.17 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -74.99 -12.61 60.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.943 HD13 HG23 ' A' ' 406' ' ' ILE . 12.1 mt -60.87 -108.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 310' ' ' ASP . . . . . 0.746 ' HB3' ' CB ' ' A' ' 313' ' ' ASP . 8.3 t70 -140.88 151.83 44.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . 0.53 ' H ' HD23 ' A' ' 311' ' ' LEU . 0.2 OUTLIER -55.35 -48.08 74.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . 0.775 ' CB ' HD11 ' A' ' 401' ' ' LEU . 3.4 m-80 -79.62 -52.11 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 313' ' ' ASP . . . . . 0.859 ' N ' HD12 ' A' ' 401' ' ' LEU . 40.2 t0 -44.09 -39.48 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 314' ' ' GLN . . . . . 0.909 ' O ' HD12 ' A' ' 318' ' ' LEU . 27.3 mt-30 -73.06 -32.49 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 315' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 312' ' ' ASN . 5.6 t -83.2 -34.78 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.766 HG21 ' HA ' ' A' ' 400' ' ' LEU . 0.9 OUTLIER -73.12 -44.31 60.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 317' ' ' LEU . . . . . 1.201 HD23 ' N ' ' A' ' 318' ' ' LEU . 0.2 OUTLIER -66.19 -28.17 68.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 318' ' ' LEU . . . . . 1.201 ' N ' HD23 ' A' ' 317' ' ' LEU . 0.2 OUTLIER -76.61 -48.26 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -26.69 37.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 320' ' ' TYR . . . . . 0.48 ' O ' ' NH2' ' A' ' 443' ' ' ARG . 13.1 m-85 -116.4 -0.46 12.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 321' ' ' GLY . . . . . 0.814 ' O ' HD12 ' A' ' 325' ' ' ILE . . . -115.04 -56.49 0.36 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . 0.874 ' HB ' HD23 ' A' ' 318' ' ' LEU . 1.8 p -42.68 -24.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . 0.59 ' O ' ' CD2' ' A' ' 327' ' ' TYR . 19.8 m170 -71.16 -51.47 24.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 324' ' ' GLU . . . . . 0.683 ' HA ' HD12 ' A' ' 442' ' ' LEU . 22.0 mt-10 -73.31 7.39 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 325' ' ' ILE . . . . . 0.818 HD13 ' CD1' ' A' ' 392' ' ' ILE . 1.2 mp -108.64 -48.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' ILE . . . . . 0.892 HG12 ' HB1' ' A' ' 292' ' ' ALA . 3.2 mt -74.79 -38.8 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.975 ' CD2' HG22 ' A' ' 446' ' ' VAL . 22.4 m-85 -76.13 -17.47 59.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' THR . . . . . 0.808 ' HA ' HD21 ' A' ' 442' ' ' LEU . 0.7 OUTLIER -76.37 -58.72 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.444 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.734 ' HE3' HD21 ' A' ' 333' ' ' LEU . 9.3 ptm -81.04 -16.46 53.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.646 ' HB2' ' O ' ' A' ' 326' ' ' ILE . 1.7 mt -47.97 -56.13 8.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' ALA . . . . . 1.018 ' HA ' ' HB2' ' A' ' 371' ' ' ALA . . . -37.24 -50.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . 0.941 ' O ' ' CZ ' ' A' ' 234' ' ' ARG . 34.2 m -59.53 -46.24 89.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.734 HD21 ' HE3' ' A' ' 329' ' ' MET . 0.0 OUTLIER -76.11 10.94 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' MET . . . . . 0.73 ' HE2' ' C ' ' A' ' 367' ' ' LYS . 0.0 OUTLIER -108.21 -176.1 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' ASN . . . . . 0.591 ' CG ' ' N ' ' A' ' 336' ' ' LYS . 1.9 t-20 -148.18 168.17 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' LYS . . . . . 0.591 ' N ' ' CG ' ' A' ' 335' ' ' ASN . 0.2 OUTLIER -46.73 -57.46 4.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' ASP . . . . . 0.63 ' O ' ' HA ' ' A' ' 349' ' ' THR . 1.3 m-20 -133.65 41.93 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . 0.712 ' HA2' ' HA ' ' A' ' 349' ' ' THR . . . -167.64 179.97 40.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . 1.098 ' O ' HG23 ' A' ' 341' ' ' ILE . 0.5 OUTLIER -137.16 128.99 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 1.031 HD21 HD13 ' A' ' 237' ' ' LEU . 2.7 mm? -49.89 117.37 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' ILE . . . . . 1.098 HG23 ' O ' ' A' ' 339' ' ' VAL . 0.8 OUTLIER -137.33 127.73 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . 0.493 ' CB ' ' HB3' ' A' ' 345' ' ' GLN . 3.7 m 65.75 115.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.516 ' HB3' HD23 ' A' ' 228' ' ' LEU . 7.4 pt-20 -59.44 131.37 50.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 61.53 27.64 68.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' GLN . . . . . 0.638 ' CG ' HG11 ' A' ' 248' ' ' VAL . 1.9 tt0 -117.28 -99.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' GLY . . . . . 0.927 ' HA3' HG13 ' A' ' 248' ' ' VAL . . . -148.22 -131.2 2.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' PHE . . . . . 1.039 ' H ' HG22 ' A' ' 248' ' ' VAL . 0.0 OUTLIER -169.23 176.32 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 1.208 ' HA ' ' O ' ' A' ' 249' ' ' ILE . 23.7 ttm -96.25 87.5 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' THR . . . . . 0.924 HG23 ' HA ' ' A' ' 249' ' ' ILE . 1.4 p -56.66 142.3 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' ARG . . . . . 0.846 ' CZ ' ' OE2' ' A' ' 365' ' ' GLU . 5.9 ttp85 -58.6 -53.37 59.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 355' ' ' SER . 3.9 pt-20 -41.74 -23.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' PHE . . . . . 0.705 ' CE1' ' CD1' ' A' ' 249' ' ' ILE . 2.5 t80 -84.46 -69.14 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' LEU . . . . . 0.942 HD13 ' HB3' ' A' ' 364' ' ' MET . 0.3 OUTLIER -43.38 -54.72 4.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' LYS . . . . . 0.579 ' O ' ' N ' ' A' ' 356' ' ' LEU . 1.0 OUTLIER -58.79 -46.55 87.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' SER . . . . . 0.602 ' O ' HD23 ' A' ' 356' ' ' LEU . 1.0 OUTLIER -52.62 82.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' LEU . . . . . 0.636 HD22 HG22 ' A' ' 277' ' ' VAL . 0.3 OUTLIER 165.18 -169.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 357' ' ' ARG . . . . . 0.885 ' HB2' ' HB2' ' A' ' 278' ' ' ALA . 0.0 OUTLIER -17.02 123.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' LYS . . . . . 0.771 ' CG ' ' HD3' ' A' ' 359' ' ' PRO . 0.1 OUTLIER -40.44 -49.76 6.79 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.771 ' HD3' ' CG ' ' A' ' 358' ' ' LYS . 18.5 Cg_endo -74.9 -76.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' PHE . . . . . 0.81 ' HD2' ' HB1' ' A' ' 278' ' ' ALA . 2.2 m-30 -48.46 -12.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . 0.622 ' N ' ' O ' ' A' ' 357' ' ' ARG . . . -104.95 38.92 3.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 362' ' ' ASP . . . . . 0.409 ' HA ' ' CG ' ' A' ' 354' ' ' LYS . 37.8 p30 -177.56 42.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 363' ' ' PHE . . . . . 0.931 ' HB2' HD13 ' A' ' 452' ' ' LEU . 0.0 OUTLIER -124.78 0.64 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 364' ' ' MET . . . . . 0.942 ' HB3' HD13 ' A' ' 353' ' ' LEU . 2.1 tpt -110.21 -3.42 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 365' ' ' GLU . . . . . 0.846 ' OE2' ' CZ ' ' A' ' 350' ' ' ARG . 2.6 tp10 -67.66 -31.54 3.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 366' ' ' PRO . . . . . 0.814 ' CD ' ' N ' ' A' ' 365' ' ' GLU . 18.4 Cg_endo -74.92 -29.23 8.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.8 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 367' ' ' LYS . . . . . 0.73 ' C ' ' HE2' ' A' ' 334' ' ' MET . 0.0 OUTLIER -68.72 -57.15 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 368' ' ' PHE . . . . . 0.509 ' CZ ' HD21 ' A' ' 353' ' ' LEU . 6.0 m-30 -59.15 -42.45 90.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -53.52 -47.64 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 370' ' ' PHE . . . . . 0.805 ' CE2' ' HB2' ' A' ' 331' ' ' ALA . 27.9 t80 -54.81 -46.45 74.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 371' ' ' ALA . . . . . 1.018 ' HB2' ' HA ' ' A' ' 331' ' ' ALA . . . -64.81 -25.76 68.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 372' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -21.44 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 370' ' ' PHE . 0.0 OUTLIER -105.43 -22.43 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 374' ' ' PHE . . . . . 0.772 ' CD1' ' CE1' ' A' ' 370' ' ' PHE . 0.2 OUTLIER -89.91 -38.52 13.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 375' ' ' ASN . . . . . 0.498 ' O ' ' HG2' ' A' ' 378' ' ' GLU . 2.4 m120 -59.22 -6.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' A' ' 374' ' ' PHE . . . -84.5 24.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.662 HD12 HD21 ' A' ' 379' ' ' LEU . 0.7 OUTLIER -156.09 10.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . 0.618 ' C ' ' O ' ' A' ' 377' ' ' LEU . 0.0 OUTLIER -17.17 93.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 379' ' ' LEU . . . . . 0.737 ' HB2' HD21 ' A' ' 384' ' ' LEU . 0.1 OUTLIER -82.46 -139.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . 0.622 ' OD2' ' CD2' ' A' ' 425' ' ' HIS . 1.2 p-10 -136.96 133.42 35.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 381' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 231' ' ' ALA . 22.0 m-20 -39.16 -26.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 380' ' ' ASP . 0.0 OUTLIER -57.94 -55.55 33.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 383' ' ' ASP . . . . . 0.58 ' OD2' ' NE2' ' A' ' 425' ' ' HIS . 0.5 OUTLIER -70.73 -30.7 67.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.737 HD21 ' HB2' ' A' ' 379' ' ' LEU . 3.4 mt -70.32 -57.81 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 385' ' ' ALA . . . . . 0.577 ' HB2' ' CE2' ' A' ' 222' ' ' TYR . . . -39.06 -63.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.76 ' HA ' HD12 ' A' ' 218' ' ' LEU . 1.1 mt -52.25 -50.4 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 387' ' ' PHE . . . . . 0.581 ' CZ ' HD22 ' A' ' 435' ' ' LEU . 0.4 OUTLIER -36.2 -54.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 388' ' ' ILE . . . . . 0.709 ' CG1' HG23 ' A' ' 325' ' ' ILE . 1.7 mp -41.66 -50.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . 0.661 ' HA ' HG22 ' A' ' 392' ' ' ILE . . . -60.35 -41.22 93.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.739 HG22 ' HB2' ' A' ' 413' ' ' LEU . 5.6 t -67.99 -6.85 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.813 ' C ' HD11 ' A' ' 325' ' ' ILE . 7.7 mt -124.35 -1.49 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' ILE . . . . . 0.818 ' CD1' HD13 ' A' ' 325' ' ' ILE . 2.5 tp -100.65 -41.0 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 1.076 HD23 ' CD1' ' A' ' 413' ' ' LEU . 1.0 OUTLIER -62.7 46.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . 0.94 ' OG ' HG21 ' A' ' 406' ' ' ILE . 51.0 m 55.09 -98.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 394' ' ' SER . . . 32.76 39.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' ASP . . . . . 0.548 ' OD1' ' HB2' ' A' ' 397' ' ' ARG . 0.4 OUTLIER -104.02 -72.09 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 0.778 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' ARG . . . . . 0.678 ' HB3' ' HD2' ' A' ' 398' ' ' PRO . 0.0 OUTLIER -147.64 176.68 2.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . 0.678 ' HD2' ' HB3' ' A' ' 397' ' ' ARG . 18.4 Cg_endo -74.98 44.45 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . 0.636 ' O ' ' CG2' ' A' ' 316' ' ' THR . . . -128.18 45.88 1.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.767 HD13 ' HB3' ' A' ' 394' ' ' SER . 0.7 OUTLIER -128.29 -146.5 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 0.787 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' LEU . . . . . 0.859 HD12 ' N ' ' A' ' 313' ' ' ASP . 15.1 mt -135.41 -72.85 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . 1.066 ' O ' ' CG1' ' A' ' 406' ' ' ILE . 2.3 m120 -103.78 78.42 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' VAL . . . . . 0.711 ' HA ' ' CD1' ' A' ' 406' ' ' ILE . 0.8 OUTLIER -73.69 -8.36 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.753 ' O ' ' CG ' ' A' ' 408' ' ' ASP . 0.5 OUTLIER -74.58 -50.43 4.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . 0.952 ' HD2' ' O ' ' A' ' 402' ' ' ASN . 18.2 Cg_endo -74.98 -15.23 20.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . 1.066 ' CG1' ' O ' ' A' ' 402' ' ' ASN . 0.0 OUTLIER -91.72 -79.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 403' ' ' VAL . 26.3 mt-10 -41.22 -26.92 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . 0.753 ' CG ' ' O ' ' A' ' 404' ' ' LYS . 24.6 m-20 -73.44 -55.9 5.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' ILE . . . . . 0.702 ' CG2' HG21 ' A' ' 303' ' ' ILE . 23.7 mm -55.11 -21.62 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . 0.824 ' HG2' HD12 ' A' ' 413' ' ' LEU . 0.1 OUTLIER -73.19 -44.32 59.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -42.41 -26.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . 0.441 ' N ' ' C ' ' A' ' 410' ' ' GLN . 0.2 OUTLIER -84.69 -56.65 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 1.076 ' CD1' HD23 ' A' ' 393' ' ' LEU . 0.2 OUTLIER -51.16 -40.44 58.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.673 HD12 HG11 ' A' ' 390' ' ' VAL . 5.4 tp -59.3 -51.1 71.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.569 ' O ' ' HB3' ' A' ' 419' ' ' LEU . 38.6 mt-30 -50.55 -58.2 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.792 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -56.78 -44.65 82.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 0.999 ' C ' HD22 ' A' ' 417' ' ' LEU . 0.0 OUTLIER -46.91 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' GLU . . . . . 0.935 ' H ' HD13 ' A' ' 417' ' ' LEU . 0.3 OUTLIER -52.17 -20.11 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 1.051 HD21 ' HA ' ' A' ' 211' ' ' LEU . 0.0 OUTLIER -68.01 -86.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' GLN . . . . . 0.731 ' O ' ' HB3' ' A' ' 424' ' ' ASN . 0.0 OUTLIER -56.53 -8.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.775 HD22 ' C ' ' A' ' 421' ' ' LEU . 0.0 OUTLIER -87.21 -55.7 3.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 426' ' ' PRO . 0.0 OUTLIER -94.81 22.37 6.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.735 HD12 ' HG ' ' A' ' 419' ' ' LEU . 93.7 mt -129.48 -38.51 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.731 ' HB3' ' O ' ' A' ' 420' ' ' GLN . 0.0 OUTLIER -96.08 -10.6 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.761 ' CG ' ' O ' ' A' ' 425' ' ' HIS . 0.7 OUTLIER -178.95 65.96 0.17 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.589 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.586 ' HA ' ' HA ' ' A' ' 422' ' ' LYS . 18.4 Cg_endo -74.96 -163.57 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.42 -50.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.33 -153.55 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' SER . . . . . . . . . . . . . 5.7 m -94.96 -52.44 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' GLN . . . . . 0.556 ' HB2' ' HB3' ' A' ' 433' ' ' ALA . 0.0 OUTLIER -110.08 24.79 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . 0.476 HD22 ' HD3' ' A' ' 434' ' ' LYS . 1.2 tm? -37.99 -29.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' PHE . . . . . 0.622 ' CG ' ' N ' ' A' ' 433' ' ' ALA . 0.1 OUTLIER -83.7 -48.63 9.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' ALA . . . . . 0.622 ' N ' ' CG ' ' A' ' 432' ' ' PHE . . . -46.59 -23.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.555 ' HA ' ' HG3' ' A' ' 437' ' ' GLN . 12.3 ptmt -96.83 -47.81 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' LEU . . . . . 0.581 HD22 ' CZ ' ' A' ' 387' ' ' PHE . 0.3 OUTLIER -39.12 -38.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 432' ' ' PHE . 2.7 mt -76.79 -47.14 22.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' A' ' 433' ' ' ALA . 2.7 mm100 -47.53 -11.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' LYS . . . . . 0.562 ' HG2' ' CZ ' ' A' ' 374' ' ' PHE . 0.0 OUTLIER -51.26 -27.63 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' MET . . . . . 0.558 ' O ' ' N ' ' A' ' 443' ' ' ARG . 0.0 OUTLIER -25.29 -44.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.578 ' O ' ' HB2' ' A' ' 444' ' ' GLN . 0.7 OUTLIER -33.79 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.563 ' O ' ' CG1' ' A' ' 445' ' ' ILE . 0.6 OUTLIER -63.85 -17.03 62.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.808 HD21 ' HA ' ' A' ' 328' ' ' THR . 0.1 OUTLIER -74.34 -78.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 439' ' ' MET . 0.2 OUTLIER -53.36 -19.92 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.788 ' O ' HG22 ' A' ' 447' ' ' THR . 7.9 mm100 -67.39 -64.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.777 HD11 ' HB2' ' A' ' 370' ' ' PHE . 0.9 OUTLIER -44.54 -43.8 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.975 HG22 ' CD2' ' A' ' 327' ' ' TYR . 8.7 t -53.01 -72.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . 0.788 HG22 ' O ' ' A' ' 444' ' ' GLN . 8.4 t -43.78 -25.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 445' ' ' ILE . 4.2 mt-10 -80.59 -56.47 4.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' HIS . . . . . 0.639 ' CD2' HG23 ' A' ' 450' ' ' VAL . 0.0 OUTLIER -42.96 -28.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' VAL . . . . . 0.78 HG12 ' HB2' ' A' ' 454' ' ' GLN . 59.4 t -86.81 -48.9 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' GLN . . . . . 0.799 ' O ' HG23 ' A' ' 455' ' ' VAL . 39.8 mt-30 -40.57 -28.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.931 HD13 ' HB2' ' A' ' 363' ' ' PHE . 7.5 mt -86.75 -66.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.373 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 457' ' ' LYS . 1.3 tp -60.0 -14.48 16.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . 0.78 ' HB2' HG12 ' A' ' 450' ' ' VAL . 33.3 tt0 -84.38 -49.01 9.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 451' ' ' GLN . 94.5 t -70.53 -7.79 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.975 ' O ' ' N ' ' A' ' 460' ' ' GLU . 0.2 OUTLIER -103.72 -60.17 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.623 ' N ' ' CG2' ' A' ' 456' ' ' ILE . 0.3 OUTLIER -39.85 -34.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 454' ' ' GLN . 0.7 OUTLIER -89.23 -40.53 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 456' ' ' ILE . 0.2 OUTLIER -121.44 39.57 3.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.975 ' N ' ' O ' ' A' ' 456' ' ' ILE . 4.4 mm-40 -42.53 132.76 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 462' ' ' ASP . 0.4 OUTLIER -38.67 -29.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 460' ' ' GLU . 0.8 OUTLIER 172.06 64.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' MET . . . . . . . . . . . . . 26.7 ttt 62.43 154.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 465' ' ' LEU . 1.4 t -160.32 152.68 20.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.792 HD23 HD13 ' A' ' 469' ' ' LEU . 0.2 OUTLIER 37.27 -116.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . 0.935 ' HB2' ' HD2' ' A' ' 467' ' ' PRO . 15.9 p80 -158.16 -176.54 0.63 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.559 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . 0.935 ' HD2' ' HB2' ' A' ' 466' ' ' HIS . 18.4 Cg_endo -75.02 -50.88 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.421 1.748 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.605 ' HB2' ' CE1' ' A' ' 466' ' ' HIS . 1.8 mt -41.77 -21.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.792 HD13 HD23 ' A' ' 465' ' ' LEU . 0.2 OUTLIER -85.98 -57.01 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -47.39 -30.5 3.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -70.23 -52.25 24.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 468' ' ' LEU . 0.7 OUTLIER -48.39 -59.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' TYR . . . . . 0.646 ' OH ' HG13 ' A' ' 450' ' ' VAL . 0.2 OUTLIER -48.83 -50.18 35.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 474' ' ' LYS . 0.8 OUTLIER -58.39 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' ASP . . . . . . . . . . . . . 1.1 p30 175.22 75.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 stop_ save_