data_2j8p_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 2j8p _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.5 0.19 . . . . 0.0 111.014 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.449 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 71.6 p -41.7 164.52 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.355 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.06 -18.42 18.61 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.565 1.823 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.587 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.56 -39.2 74.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.587 ' N ' HE21 ' A' ' 533' ' ' GLN . 10.5 t70 -66.45 -39.32 88.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 557' ' ' PRO . 16.7 m-70 -67.29 -25.74 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -82.2 5.22 20.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -69.62 -22.35 63.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.577 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -69.87 -32.53 70.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.21 -36.73 68.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.482 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 1.4 tp -64.1 -32.71 74.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.528 ' CG2' ' CD1' ' A' ' 545' ' ' LEU . 2.9 mt -99.25 -6.54 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.577 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -65.57 -38.42 89.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.2 OUTLIER -65.43 -46.92 78.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.6 t -70.5 -34.09 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.528 ' CD1' ' CG2' ' A' ' 541' ' ' ILE . 2.6 mp -53.56 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 2.2 pm0 -105.51 -27.38 11.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.557 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.2 OUTLIER 91.87 37.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.516 ' CG2' ' O ' ' A' ' 547' ' ' LEU . 1.1 p -162.89 116.63 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.457 ' CA ' ' SD ' ' A' ' 542' ' ' MET . . . -69.82 -22.64 63.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -39.52 91.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -69.11 -42.13 76.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.42 HD12 ' CD2' ' A' ' 545' ' ' LEU . 0.9 OUTLIER -74.35 -27.54 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -60.76 -29.29 69.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -8.0 55.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 24.2 mt -91.29 150.07 40.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.511 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.3 Cg_endo -75.01 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.534 1.808 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 535' ' ' HIS . 18.3 Cg_endo -75.02 -35.39 3.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -73.05 -2.09 19.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -118.36 -36.13 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 556' ' ' PRO . 0.9 OUTLIER -45.63 -60.03 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -58.29 -27.77 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.6 t -46.93 -34.1 5.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 40.9 mm -62.14 -36.48 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 561' ' ' GLN . 3.1 tt -67.47 -39.93 85.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.76 -47.55 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -34.99 78.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.495 ' HG3' ' CG1' ' A' ' 541' ' ' ILE . 1.6 mmtt -61.93 -36.71 82.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.11 -36.62 82.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -62.33 -40.74 97.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 83.2 mt -60.01 -35.28 60.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -64.1 -34.01 77.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 8.6 mttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.464 0.173 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.67 167.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -19.71 17.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.569 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.88 -40.07 75.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.569 ' N ' HE21 ' A' ' 533' ' ' GLN . 7.2 t70 -66.38 -40.15 89.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -77.22 -34.18 56.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.547 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.57 8.87 31.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.476 ' CB ' HD13 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -69.53 -23.21 63.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -66.75 -32.98 74.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.22 -36.42 70.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.449 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 0.0 OUTLIER -68.54 -32.27 72.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.503 ' CD1' ' HG3' ' A' ' 567' ' ' LYS . 2.9 mp -101.5 9.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 538' ' ' ALA . 2.4 tmm? -66.71 -43.59 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -62.84 -38.85 92.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.92 -33.53 61.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.483 ' CD2' HG23 ' A' ' 541' ' ' ILE . 1.9 mm? -55.55 -93.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.74 -18.75 14.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.562 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 93.24 31.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.423 ' OG1' ' C ' ' A' ' 547' ' ' LEU . 2.1 m -154.7 138.76 16.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -84.73 -28.66 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.36 -39.32 90.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -64.61 -40.74 96.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.477 ' HA ' ' CD1' ' A' ' 555' ' ' LEU . 0.7 OUTLIER -72.29 -32.8 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.33 -22.83 65.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 77.4 mtp -80.24 -10.29 59.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 552' ' ' ILE . 2.4 mt -99.3 151.17 37.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 174.15 13.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -40.41 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.31 -9.07 29.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.8 OUTLIER -109.7 -34.69 6.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -59.46 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -51.89 -28.64 16.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.3 t -45.2 -35.57 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 8.5 mt -62.22 -40.46 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.476 HD13 ' CB ' ' A' ' 537' ' ' LYS . 2.3 tt -62.02 -38.69 89.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.453 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 18.8 mm -65.57 -47.47 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -33.95 74.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.503 ' HG3' ' CD1' ' A' ' 541' ' ' ILE . 5.8 mmtt -61.11 -48.01 83.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 10.6 pt-20 -67.93 -35.75 78.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.5 OUTLIER -62.91 -38.23 90.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 24.8 mt -59.09 -38.08 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -60.47 -42.57 96.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.408 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.496 0.189 . . . . 0.0 110.985 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 530' ' ' MET . 0.3 OUTLIER -44.35 169.16 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -19.59 17.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.426 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.67 -39.48 76.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.426 ' N ' HE21 ' A' ' 533' ' ' GLN . 10.5 t70 -65.44 -35.98 82.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -77.26 -29.69 54.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 536' ' ' GLU . 0.4 OUTLIER -83.59 5.0 25.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.452 ' CB ' HD13 ' A' ' 564' ' ' LEU . 1.1 mmpt? -64.23 -23.08 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.15 -33.64 74.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.98 -38.24 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.45 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 2.2 tp -68.22 -33.43 74.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 567' ' ' LYS . 3.1 mt -92.92 -2.67 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 538' ' ' ALA . 2.9 ttp -66.08 -37.18 85.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.2 OUTLIER -63.91 -40.42 96.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.12 -31.98 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -100.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.746 ' NE2' HE22 ' A' ' 551' ' ' GLN . 0.0 OUTLIER -106.07 -25.21 12.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.431 HD13 ' CB ' ' A' ' 543' ' ' GLN . 0.5 OUTLIER 67.92 61.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.531 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 1.5 m -136.92 -48.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 86.44 -20.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . 0.403 ' CB ' HG23 ' A' ' 548' ' ' THR . 20.3 t0 -65.76 -46.29 79.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . 0.746 HE22 ' NE2' ' A' ' 546' ' ' GLN . 0.0 OUTLIER -68.7 -39.31 80.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' A' ' 563' ' ' ILE . 1.1 mm -74.81 -28.16 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -64.24 -38.52 91.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 10.6 ptp -81.06 -3.17 50.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 36.9 mt -86.97 148.01 44.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.56 14.31 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -40.43 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.62 -8.26 26.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.5 OUTLIER -110.35 -38.69 5.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.38 -62.96 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -56.56 -26.9 56.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -46.27 -35.95 5.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.471 ' CD1' HD12 ' A' ' 552' ' ' ILE . 3.1 mt -62.2 -39.36 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.452 HD13 ' CB ' ' A' ' 537' ' ' LYS . 2.9 tt -64.33 -39.46 93.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 15.9 mm -65.49 -47.94 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -33.97 75.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.479 ' HG3' ' CD1' ' A' ' 541' ' ' ILE . 8.6 mmtt -60.8 -37.29 81.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -62.15 -36.57 82.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.294 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -62.96 -39.07 93.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.77 -40.53 87.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.85 -41.53 95.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 19.8 mttt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.509 0.195 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.505 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 44.4 p -43.49 167.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.505 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.05 -13.36 21.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 110.959 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.464 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.3 OUTLIER -70.87 -40.09 72.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.29 -37.18 86.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -68.56 -25.89 65.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -83.92 6.15 22.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 18.0 mtpt -64.06 -24.51 67.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -70.3 -33.36 71.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.32 -35.83 70.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.5 OUTLIER -64.21 -32.67 74.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 564' ' ' LEU . 2.3 mt -98.08 -6.85 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 538' ' ' ALA . 2.6 tmm? -65.64 -43.01 90.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -67.95 -37.38 81.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.8 -33.59 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 567' ' ' LYS . 41.1 tp -73.12 -101.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.495 ' CD ' ' N ' ' A' ' 547' ' ' LEU . 1.7 pp0? -107.62 -30.3 8.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 0.2 OUTLIER 76.36 105.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.505 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 18.5 m -163.06 -47.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 83.96 -45.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -37.94 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -68.24 -39.09 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 7.2 mm -67.5 -31.17 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.51 67.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 2.6 mmm -78.36 -8.62 58.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 31.7 mt -99.08 147.31 33.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 174.15 13.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -40.67 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.73 -9.48 28.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -111.55 -36.92 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -46.7 -60.62 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -30.78 71.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' SER . . . . . . . . . . . . . 3.1 t -51.49 -34.5 36.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.1 tt -62.31 -41.44 91.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.484 ' HA ' ' CD1' ' A' ' 541' ' ' ILE . 1.1 tt -58.43 -34.32 70.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 82.8 mt -72.35 -45.82 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -44.84 82.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.477 ' HG2' ' CG2' ' A' ' 541' ' ' ILE . 0.1 OUTLIER -67.32 -35.67 79.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 6.3 mm-40 -60.85 -36.23 78.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.3 -38.52 91.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 26.3 mt -59.52 -41.94 86.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.0 -34.69 78.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 2.0 mttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.275 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.411 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.49 0.186 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.444 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 73.2 p -41.9 164.54 0.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.0 -18.77 18.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.593 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.48 -39.29 74.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.593 ' N ' HE21 ' A' ' 533' ' ' GLN . 7.6 t70 -66.99 -37.24 83.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.407 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 1.7 m-70 -74.65 -26.92 60.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.58 9.22 30.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.469 ' CG ' HD11 ' A' ' 564' ' ' LEU . 13.7 tttt -70.11 -22.97 62.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -62.44 -33.56 75.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -57.74 -37.24 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 1.9 tp -68.7 -33.36 73.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.485 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 7.0 mm -87.08 -19.37 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.532 ' N ' ' O ' ' A' ' 538' ' ' ALA . 7.5 mtt -58.08 -35.54 71.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -63.85 -48.32 77.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.69 -34.69 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.17 -87.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.557 ' O ' ' CG ' ' A' ' 547' ' ' LEU . 3.0 pm0 -103.86 -32.03 9.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.557 ' CG ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 88.45 42.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.569 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 3.8 m -147.07 -48.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 88.56 -33.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -59.99 -39.29 85.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -64.59 -43.58 93.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.472 ' CG2' ' SD ' ' A' ' 542' ' ' MET . 0.3 OUTLIER -74.77 -25.79 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.59 61.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 7.2 mtp -77.88 -11.53 59.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 15.8 mt -86.32 155.27 57.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.08 13.4 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -41.98 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -64.98 -10.03 26.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.556 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.2 mt-30 -106.39 -34.59 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.77 -57.63 3.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -57.99 -29.66 65.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.9 t -47.24 -35.34 7.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.011 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 27.2 mm -62.74 -36.75 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.469 HD11 ' CG ' ' A' ' 537' ' ' LYS . 0.9 OUTLIER -67.2 -39.55 86.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 16.4 mm -64.06 -47.41 90.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -34.39 76.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.485 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 1.9 mmtt -61.41 -42.14 98.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.86 -35.42 78.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . 0.46 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -64.45 -39.04 93.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . 0.444 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 96.4 mt -59.71 -40.97 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -60.61 -34.38 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.485 0.183 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 530' ' ' MET . 0.2 OUTLIER -44.5 169.27 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.421 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -18.9 18.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -40.14 76.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.403 ' OD2' ' CD ' ' A' ' 561' ' ' GLN . 4.1 t70 -67.01 -37.03 83.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -75.14 -39.75 60.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -83.08 5.51 22.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -23.26 67.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 560' ' ' ARG . . . -63.1 -33.26 75.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.52 -38.65 72.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.405 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 2.8 tp -68.55 -33.35 73.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.492 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 2.2 mt -95.59 9.33 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.492 ' SD ' ' CB ' ' A' ' 549' ' ' ALA . 1.1 ttp -66.01 -45.54 81.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.445 ' N ' ' HE1' ' A' ' 542' ' ' MET . 0.1 OUTLIER -71.62 -38.74 70.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.97 -32.96 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 545' ' ' LEU . 0.1 OUTLIER -73.83 -101.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.497 ' OE1' ' CB ' ' A' ' 548' ' ' THR . 0.3 OUTLIER -107.25 -23.06 12.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.46 ' N ' ' CD ' ' A' ' 546' ' ' GLN . 0.9 OUTLIER 72.39 92.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 68.0 m -157.01 -47.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 83.68 -45.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.2 -38.69 80.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . 0.445 ' NE2' ' HG2' ' A' ' 546' ' ' GLN . 13.7 mt-30 -69.11 -39.22 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.428 ' HA ' ' CD1' ' A' ' 555' ' ' LEU . 3.6 mm -74.65 -27.8 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -74.92 -39.49 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 551' ' ' GLN . 5.5 ppp? -86.14 -5.7 59.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.469 ' CD2' ' HD2' ' A' ' 556' ' ' PRO . 3.5 mt -72.76 153.38 91.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -74.95 173.79 13.89 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -32.84 4.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.546 1.814 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.63 0.03 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.414 ' O ' ' OG ' ' A' ' 562' ' ' SER . 2.1 mt-30 -119.47 -40.54 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 538' ' ' ALA . 1.1 mmm180 -44.8 -56.49 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.1 OUTLIER -76.36 -32.56 58.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 559' ' ' GLN . 19.4 p -44.85 -38.33 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.6 mm -59.84 -40.43 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 561' ' ' GLN . 2.5 tt -64.29 -39.9 94.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.172 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.42 -47.47 91.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -35.19 78.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.492 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 1.4 mmtt -65.72 -36.96 85.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.96 -41.87 99.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -66.86 -40.78 87.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.09 -36.89 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.22 -31.99 73.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.235 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 38.0 tttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.506 ' C ' ' CG2' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.517 0.199 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.571 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.5 OUTLIER 63.07 -173.71 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.06 -16.62 19.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -40.01 75.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.469 ' HB2' ' CB ' ' A' ' 530' ' ' MET . 25.4 t0 -60.35 -37.83 81.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' A' ' 557' ' ' PRO . 93.6 m-70 -80.02 -24.91 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.645 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.83 -4.84 51.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 534' ' ' ASP . 17.4 mmtt -63.86 -22.86 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -70.6 -32.96 70.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -53.79 -36.44 62.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 1.2 tp -67.95 -31.37 71.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.509 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 30.7 mm -88.98 -19.61 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 538' ' ' ALA . 15.7 mtt -56.94 -39.77 75.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -41.59 76.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 48.7 t -64.38 -34.67 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -96.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 2.7 pm0 -104.6 -21.23 13.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 90.92 33.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.517 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 90.1 m -130.35 -48.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 85.19 -12.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -66.22 -42.75 88.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . 0.755 ' H ' ' NE2' ' A' ' 551' ' ' GLN . 2.5 mp0 -61.55 -44.43 97.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.46 ' CB ' ' HG2' ' A' ' 542' ' ' MET . 1.3 mm -74.55 -26.81 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.26 66.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.485 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 2.0 ppp? -81.17 -5.84 58.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 40.8 mt -95.15 151.13 38.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.18 11.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . 0.425 ' O ' ' ND1' ' A' ' 535' ' ' HIS . 18.3 Cg_endo -75.0 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -61.32 -13.45 19.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.1 mt-30 -106.24 -34.04 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.21 -58.94 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -54.08 -29.54 44.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.1 t -51.6 -34.64 38.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 50.1 mm -62.61 -39.47 84.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 561' ' ' GLN . 1.3 tt -60.61 -39.04 86.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 75.9 mt -66.89 -46.71 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -34.29 77.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.509 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 0.1 OUTLIER -60.71 -36.8 79.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.32 -40.69 98.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -67.79 -38.64 83.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 74.0 mt -59.33 -34.87 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -60.58 -31.88 71.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.57 ' HB3' ' CE1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.501 0.191 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.451 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 70.7 p -41.71 164.51 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.06 -17.86 19.07 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.809 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.603 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.47 -38.88 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.603 ' N ' HE21 ' A' ' 533' ' ' GLN . 26.4 t70 -62.02 -44.25 97.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 20.1 m-70 -67.5 -26.42 66.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.57 3.89 26.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 541' ' ' ILE . 25.8 mmtt -64.39 -22.92 67.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.97 -31.13 69.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.486 ' O ' ' CG ' ' A' ' 542' ' ' MET . . . -56.33 -44.5 80.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.508 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 0.6 OUTLIER -68.53 -41.59 79.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 537' ' ' LYS . 2.7 mt -81.37 -4.2 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.601 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -66.86 -33.64 76.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 5.7 mt-30 -63.51 -46.78 84.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 33.6 t -63.5 -32.24 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 545' ' ' LEU . 2.8 mm? -67.29 -99.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.41 -23.76 12.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.505 ' O ' ' CG2' ' A' ' 548' ' ' THR . 4.8 tp 66.64 84.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 547' ' ' LEU . 1.4 p -161.54 -44.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 84.65 -44.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -59.68 -38.83 82.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.67 -38.82 90.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.92 -28.59 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.87 70.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 4.5 mmt -81.84 -3.59 54.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 11.7 mt -94.29 146.14 31.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.51 14.39 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.7 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -68.66 -6.36 25.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.2 mt-30 -114.69 -38.09 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -51.56 -62.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -24.82 56.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -47.35 -37.38 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.2 -41.21 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.474 HD13 ' CG ' ' A' ' 537' ' ' LYS . 1.3 tt -60.48 -34.01 73.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.467 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 4.0 mm -69.81 -46.56 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -33.72 74.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.487 ' CE ' HG22 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -60.87 -48.21 82.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 7.5 pt-20 -67.65 -35.45 78.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -63.3 -38.03 89.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.85 -40.81 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.0 -43.23 96.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.516 ' C ' ' CG2' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.492 0.187 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.589 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.6 OUTLIER 64.74 -172.54 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -16.76 20.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.558 1.82 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 537' ' ' LYS . 0.0 OUTLIER -69.55 -39.87 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -67.01 -41.34 86.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -77.42 -26.35 51.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.632 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 24.7 tt0 -99.07 7.39 45.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 533' ' ' GLN . 5.9 mttt -69.88 -22.26 63.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -64.95 -33.72 76.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.462 ' HA ' ' CB ' ' A' ' 542' ' ' MET . . . -57.21 -36.51 70.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.2 OUTLIER -59.38 -33.28 71.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.48 ' CG2' ' HG2' ' A' ' 567' ' ' LYS . 3.3 mt -97.81 -14.22 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.491 ' CG ' HG13 ' A' ' 552' ' ' ILE . 12.4 tmm? -58.63 -34.37 71.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.5 OUTLIER -62.0 -44.49 96.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.51 -33.38 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 563' ' ' ILE . 0.2 OUTLIER -56.14 -89.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.646 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -108.05 -35.18 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.646 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 2.9 tp 99.46 33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 547' ' ' LEU . 1.6 p -160.75 111.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.469 ' CB ' ' HE3' ' A' ' 542' ' ' MET . . . -63.79 -12.92 39.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.61 -45.78 92.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -68.86 -39.67 79.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.491 HG13 ' CG ' ' A' ' 542' ' ' MET . 2.3 mm -73.45 -25.3 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -59.16 -22.21 60.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 39.2 mtt -69.96 -21.62 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 111.047 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -98.07 146.22 31.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.958 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -66.34 -8.82 27.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.534 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.0 mt-30 -115.47 -39.12 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.474 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 1.2 ttp180 -41.44 -56.86 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -42.32 -33.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 57.0 p -43.4 -39.99 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.473 ' CD1' HD22 ' A' ' 545' ' ' LEU . 0.1 OUTLIER -59.94 -43.19 91.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 1.0 OUTLIER -59.38 -35.59 74.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 24.7 mt -72.19 -44.99 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -44.82 85.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.48 ' HG2' ' CG2' ' A' ' 541' ' ' ILE . 4.1 tptt -68.88 -36.58 78.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 15.3 mm-40 -60.99 -36.04 78.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -62.6 -38.16 89.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 30.8 mt -59.21 -41.88 85.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.12 -39.94 90.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.545 ' CE ' ' NE2' ' A' ' 535' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.474 0.178 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.546 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 30.0 p -43.93 169.94 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.546 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.07 -22.4 14.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.611 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -71.61 -38.73 70.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.611 ' N ' HE21 ' A' ' 533' ' ' GLN . 6.9 t70 -61.56 -37.68 84.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 557' ' ' PRO . 1.3 m-70 -75.01 -34.1 61.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -89.47 11.31 19.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.487 ' CG ' HD11 ' A' ' 564' ' ' LEU . 1.8 tttt -70.71 -23.05 62.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -62.24 -32.41 73.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.444 ' HA ' ' CE ' ' A' ' 542' ' ' MET . . . -56.2 -38.13 70.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.486 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 0.6 OUTLIER -68.92 -31.28 70.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 541' ' ' ILE . 5.6 mt -96.89 7.11 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 539' ' ' ALA . 0.0 OUTLIER -65.61 -44.86 85.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -65.75 -39.19 90.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . 0.436 HG13 ' CE ' ' A' ' 567' ' ' LYS . 7.8 t -65.18 -33.24 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.477 ' CD2' ' OE1' ' A' ' 546' ' ' GLN . 63.3 tp -68.36 -99.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.546 ' CB ' ' NE2' ' A' ' 551' ' ' GLN . 3.2 pm0 -105.64 -34.97 7.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.489 ' N ' ' HG2' ' A' ' 546' ' ' GLN . 0.0 OUTLIER 84.63 74.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.542 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 1.2 m -168.18 -41.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 87.46 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . 0.457 ' HB2' ' CG2' ' A' ' 548' ' ' THR . 0.4 OUTLIER -60.4 -39.38 87.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . 0.546 ' NE2' ' CB ' ' A' ' 546' ' ' GLN . 19.0 mt-30 -69.05 -39.38 79.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.455 ' CG1' HD21 ' A' ' 545' ' ' LEU . 0.9 OUTLIER -74.5 -28.23 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -60.38 -30.39 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.5 -5.94 51.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 3.7 mt -95.25 143.86 26.83 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -75.03 173.57 14.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . 0.603 ' O ' ' CE1' ' A' ' 535' ' ' HIS . 18.4 Cg_endo -75.0 -37.29 2.09 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.511 1.795 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -70.47 -4.78 24.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.5 mt-30 -117.33 -39.79 3.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.58 -56.36 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -57.46 -32.63 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.8 t -45.16 -34.08 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -40.04 86.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 568' ' ' GLU . 0.6 OUTLIER -59.89 -36.61 77.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.466 HD11 ' CD2' ' A' ' 564' ' ' LEU . 22.1 mm -71.66 -44.82 69.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -45.44 85.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.436 ' CE ' HG13 ' A' ' 544' ' ' VAL . 5.6 tptp -69.77 -37.56 76.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.13 -37.73 86.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.58 -38.96 89.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 31.0 mt -63.88 -38.5 82.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.6 -35.53 79.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.512 ' C ' ' CG2' ' A' ' 531' ' ' THR . 9.0 mtm . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.527 0.203 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.547 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.5 OUTLIER 62.57 -174.92 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.547 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.6 Cg_endo -74.89 -18.93 18.62 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.419 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -67.43 -38.21 84.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.462 ' CB ' ' HB3' ' A' ' 530' ' ' MET . 37.2 t70 -59.19 -38.81 80.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -70.57 -26.77 63.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.49 8.27 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.48 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 7.2 mmmt -70.13 -22.57 62.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -63.59 -32.33 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -55.39 -37.61 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.409 ' HA ' ' NE2' ' A' ' 543' ' ' GLN . 2.3 tp -69.15 -33.13 72.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.49 ' CG2' ' HG2' ' A' ' 567' ' ' LYS . 3.0 mm -83.77 -23.01 8.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.496 ' N ' ' O ' ' A' ' 538' ' ' ALA . 3.4 tmm? -57.02 -35.44 69.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 540' ' ' LEU . 2.9 mt-30 -69.36 -38.17 77.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.9 t -61.97 -33.51 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.84 -103.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' A' ' 547' ' ' LEU . 2.9 pp0? -107.88 -24.29 11.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 547' ' ' LEU . 0.1 OUTLIER 79.28 102.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.539 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 1.2 m -170.85 -43.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 86.56 -35.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -59.35 -37.0 76.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . 0.414 ' NE2' ' HG2' ' A' ' 546' ' ' GLN . 1.1 mt-30 -61.27 -45.31 95.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.467 HG21 ' CG ' ' A' ' 560' ' ' ARG . 1.2 mp -75.84 -30.75 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.91 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 551' ' ' GLN . 2.9 ptm -79.82 -0.5 34.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 4.8 mt -106.54 146.96 34.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 174.63 12.43 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -37.96 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -69.12 -6.8 30.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.6 mt-30 -119.01 -35.45 3.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.467 ' CG ' HG21 ' A' ' 552' ' ' ILE . 0.1 OUTLIER -45.31 -71.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -47.85 -33.95 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.7 OUTLIER -44.14 -35.65 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 564' ' ' LEU . 0.1 OUTLIER -62.04 -43.89 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 537' ' ' LYS . 1.7 tt -59.65 -38.67 82.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 50.8 mt -69.93 -44.18 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -37.98 89.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.49 ' HG2' ' CG2' ' A' ' 541' ' ' ILE . 0.5 OUTLIER -69.24 -40.77 77.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.53 -35.27 77.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . 0.455 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 3.5 mt-30 -62.08 -38.57 89.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 567' ' ' LYS . 16.1 mt -59.54 -41.7 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 567' ' ' LYS . 1.4 mt-30 -61.26 -40.13 92.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 2.2 tttm . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.515 0.197 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 531' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -43.17 167.09 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.55 16.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.587 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.95 -40.06 75.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.587 ' N ' HE21 ' A' ' 533' ' ' GLN . 6.9 t70 -63.09 -37.69 88.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -77.49 -25.86 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.617 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -97.42 8.32 44.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.409 ' CB ' ' CD1' ' A' ' 564' ' ' LEU . 0.1 OUTLIER -69.78 -22.48 63.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.21 -32.29 72.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.481 ' O ' ' CE ' ' A' ' 542' ' ' MET . . . -56.89 -38.48 72.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.411 ' HA ' ' NE2' ' A' ' 543' ' ' GLN . 2.9 tp -69.18 -35.21 76.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.481 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 13.8 mm -84.15 -22.57 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.596 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -58.33 -32.86 68.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.492 ' N ' ' HG2' ' A' ' 542' ' ' MET . 3.5 mt-30 -63.34 -49.72 72.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.1 -34.09 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -86.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.625 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.71 -31.85 9.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.625 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 98.28 14.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.97 128.43 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.515 ' CB ' ' SD ' ' A' ' 542' ' ' MET . . . -80.66 -0.97 40.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.45 -47.15 87.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . 0.43 ' NE2' ' HB2' ' A' ' 546' ' ' GLN . 1.8 mp0 -69.01 -39.4 79.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.462 HG21 ' CD ' ' A' ' 560' ' ' ARG . 8.0 mm -68.07 -32.78 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.2 -32.36 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.08 -2.68 58.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.458 ' CD1' HD12 ' A' ' 552' ' ' ILE . 87.4 mt -95.79 147.38 32.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.71 14.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.556 1.819 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -40.42 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.04 -9.04 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -111.19 -37.39 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.462 ' CD ' HG21 ' A' ' 552' ' ' ILE . 2.9 ttp180 -54.29 -67.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.422 ' NE2' HG13 ' A' ' 565' ' ' ILE . 0.1 OUTLIER -54.14 -18.88 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.9 OUTLIER -56.16 -34.86 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 13.3 mt -62.29 -38.84 82.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.409 ' CD1' ' CB ' ' A' ' 537' ' ' LYS . 2.8 tt -60.53 -37.93 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.422 HG13 ' NE2' ' A' ' 561' ' ' GLN . 85.6 mt -66.71 -47.59 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -35.1 78.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.481 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 2.9 mmtt -61.63 -36.83 81.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.81 -37.74 88.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -64.98 -39.76 93.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . 0.417 HD11 ' NZ ' ' A' ' 567' ' ' LYS . 96.2 mt -59.64 -36.99 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 567' ' ' LYS . 1.4 mp0 -65.84 -38.51 89.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 6.5 mttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.542 0.21 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 531' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.82 167.0 0.42 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -9.18 20.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' A' ' 534' ' ' ASP . 3.6 pp0? -70.54 -39.24 74.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.43 ' HA ' ' NE2' ' A' ' 533' ' ' GLN . 11.3 t0 -61.35 -40.91 96.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -74.23 -25.97 59.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.589 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -85.24 4.37 35.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 3.0 mmpt? -63.99 -23.2 67.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -62.44 -34.28 76.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -63.68 -36.97 85.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.452 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 0.0 OUTLIER -68.32 -33.11 73.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.486 HG22 ' CD ' ' A' ' 567' ' ' LYS . 0.5 OUTLIER -89.56 -17.66 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.517 ' N ' ' O ' ' A' ' 538' ' ' ALA . 4.4 mmt -58.22 -35.48 71.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.502 ' HA ' ' CB ' ' A' ' 547' ' ' LEU . 1.3 mt-30 -66.5 -38.28 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 36.3 t -62.01 -32.76 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.451 ' CD2' ' HD3' ' A' ' 567' ' ' LYS . 4.5 mm? -78.52 -98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.614 ' NE2' ' N ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -106.55 -30.6 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.614 ' N ' ' NE2' ' A' ' 546' ' ' GLN . 0.0 OUTLIER 78.85 92.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.596 ' N ' HE22 ' A' ' 546' ' ' GLN . 17.4 m -160.98 -44.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 87.36 -34.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -36.81 76.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -45.16 95.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.488 ' CD1' ' CE ' ' A' ' 542' ' ' MET . 0.5 OUTLIER -75.18 -33.04 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.18 -22.44 60.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 3.1 mmm -84.25 -5.41 59.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 20.4 mt -106.82 155.2 39.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.58 12.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.91 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.13 -9.48 31.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.6 mt-30 -116.44 -35.99 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.4 ' CG ' HG21 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -42.13 -60.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -31.65 67.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.9 t -46.58 -35.51 5.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 538' ' ' ALA . 1.8 tp -62.38 -43.88 98.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 537' ' ' LYS . 1.4 tt -58.95 -39.49 81.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.451 ' O ' ' HG3' ' A' ' 568' ' ' GLU . 85.9 mt -65.03 -45.39 94.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -38.41 79.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.486 ' CD ' HG22 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -69.88 -48.55 58.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -65.06 -33.26 75.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . 0.519 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 6.8 mt-30 -61.59 -38.23 86.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 11.1 mt -59.07 -36.42 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -60.38 -42.87 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 10.1 mttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.556 ' CG ' ' O ' ' A' ' 530' ' ' MET . 1.5 ttp . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.509 0.195 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.552 ' CG2' ' C ' ' A' ' 530' ' ' MET . 0.8 OUTLIER 68.61 178.2 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.01 -18.94 18.29 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.474 1.776 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -39.59 79.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 530' ' ' MET . 24.4 t0 -61.69 -49.71 75.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.448 ' CE1' ' HA ' ' A' ' 558' ' ' GLU . 95.2 m-70 -67.81 -25.67 65.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -78.28 0.44 25.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 0.2 OUTLIER -64.1 -22.82 67.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -69.35 -27.88 65.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -50.77 -37.28 41.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.459 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 1.5 tp -61.86 -32.58 72.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.502 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 3.1 mm -95.55 -15.15 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 546' ' ' GLN . 28.8 ttm -58.3 -32.27 68.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.3 OUTLIER -61.59 -42.96 99.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.37 -42.5 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.41 19.47 8.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -84.72 -6.98 59.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 5.3 tt -39.59 -29.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.539 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 0.7 OUTLIER -135.19 -49.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.408 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 87.03 -32.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -59.67 -37.79 79.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . 0.437 ' NE2' ' HB ' ' A' ' 548' ' ' THR . 0.0 OUTLIER -62.75 -45.32 93.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 3.0 mm -74.5 -41.56 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.4 -22.27 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.4 mmm -80.6 -9.69 59.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 551' ' ' GLN . 16.3 mt -103.9 147.5 34.38 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -74.92 175.39 11.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 556' ' ' PRO . 18.3 Cg_endo -75.03 -38.6 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . 0.448 ' HA ' ' CE1' ' A' ' 535' ' ' HIS . 25.9 tt0 -69.0 -6.0 25.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.4 mt-30 -116.99 -35.84 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.85 -56.25 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.5 OUTLIER -47.81 -34.47 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 4.9 t -45.89 -33.58 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 10.8 mm -61.54 -39.19 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 568' ' ' GLU . 1.4 tt -60.68 -34.55 74.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.482 HD11 ' CD2' ' A' ' 564' ' ' LEU . 18.7 mm -71.93 -45.56 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -45.47 83.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.502 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 0.1 OUTLIER -69.34 -35.94 76.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 2.6 tt0 -60.66 -35.59 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -65.09 -37.88 88.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 567' ' ' LYS . 32.4 mt -58.78 -35.91 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -61.86 -32.6 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 15.5 tttp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.58 ' O ' ' OG1' ' A' ' 531' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.509 0.195 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.58 ' OG1' ' O ' ' A' ' 530' ' ' MET . 1.5 p 72.11 179.5 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -36.55 2.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -55.67 -37.29 68.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' A' ' 530' ' ' MET . 12.3 t0 -58.74 -45.55 89.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 561' ' ' GLN . 56.1 m-70 -78.01 -25.85 48.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.636 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.8 -0.89 55.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.468 ' CB ' HD11 ' A' ' 564' ' ' LEU . 0.7 OUTLIER -68.21 -23.1 64.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -71.78 -30.5 65.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -53.78 -40.97 66.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.457 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 1.5 tp -67.61 -34.16 76.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.491 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 6.3 mm -92.28 6.35 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.473 ' HE2' ' CB ' ' A' ' 549' ' ' ALA . 2.7 ttp -65.92 -45.02 83.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -68.11 -39.27 82.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 31.2 t -68.05 -33.69 62.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.404 HD22 ' CG2' ' A' ' 563' ' ' ILE . 0.1 OUTLIER -55.4 -96.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.548 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.32 -15.89 15.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.548 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER 91.69 29.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.401 ' OG1' ' C ' ' A' ' 547' ' ' LEU . 2.4 m -153.47 139.7 18.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 553' ' ' ALA . . . -90.11 -20.24 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.88 -38.61 86.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -68.68 -45.62 71.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.471 ' CG2' ' SD ' ' A' ' 542' ' ' MET . 0.2 OUTLIER -74.58 -30.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 549' ' ' ALA . . . -61.11 -23.43 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.88 -0.84 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 40.3 mt -99.17 150.13 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.59 12.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -43.56 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.781 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.1 -13.03 22.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -104.67 -37.92 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.29 -62.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.435 ' CG ' ' OD1' ' A' ' 534' ' ' ASP . 0.4 OUTLIER -50.79 -28.71 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.249 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.3 OUTLIER -50.62 -32.53 19.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.436 ' CD1' HD12 ' A' ' 552' ' ' ILE . 19.6 mt -65.15 -38.5 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 537' ' ' LYS . 1.1 tt -61.43 -38.72 88.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 24.6 mt -64.9 -47.96 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -35.61 78.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.172 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.491 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 4.5 mmtt -62.02 -41.03 97.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -63.47 -36.5 83.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -64.92 -38.99 92.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 20.9 mt -59.72 -38.86 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -33.46 76.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.5 mttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.555 0.217 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.44 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 68.3 p -41.42 164.01 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.44 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -74.99 -19.68 17.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.609 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.57 -39.19 74.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.609 ' N ' HE21 ' A' ' 533' ' ' GLN . 9.7 t0 -62.86 -48.9 77.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.485 ' C ' ' ND1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER -67.08 -25.48 66.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -76.93 -0.86 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.447 ' CB ' HD13 ' A' ' 564' ' ' LEU . 3.1 mmpt? -63.63 -22.58 66.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.71 -32.39 72.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 542' ' ' MET . . . -57.0 -38.03 72.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.422 ' HA ' ' NE2' ' A' ' 543' ' ' GLN . 2.1 tp -68.87 -39.16 79.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.492 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 10.1 mm -80.98 -21.91 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.596 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -58.4 -33.29 69.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.492 ' N ' ' HG2' ' A' ' 542' ' ' MET . 3.5 mt-30 -68.37 -48.22 65.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 17.9 t -71.44 -33.95 51.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.453 ' CD2' ' CD ' ' A' ' 546' ' ' GLN . 6.1 tp -54.46 -87.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.46 -30.29 10.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.562 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 2.3 tt 93.33 24.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 3.0 p -144.73 104.4 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.51 ' CB ' ' SD ' ' A' ' 542' ' ' MET . . . -62.83 -15.89 56.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.45 -42.41 87.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -65.44 -45.48 83.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.487 ' CG2' ' HD2' ' A' ' 560' ' ' ARG . 0.6 OUTLIER -74.8 -26.16 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -60.6 -22.47 63.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.91 -10.88 59.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.74 140.03 67.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 174.68 12.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . 0.6 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.02 128.86 11.8 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 0.7 OUTLIER 95.9 -22.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.81 -30.66 24.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.487 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 5.5 mtm180 -60.52 -58.2 9.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -38.86 -29.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 560' ' ' ARG . 7.8 t -44.57 -36.79 3.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.419 ' CG2' ' HB ' ' A' ' 541' ' ' ILE . 4.1 mm -61.83 -40.33 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 561' ' ' GLN . 2.5 tt -62.96 -38.89 92.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 19.2 mm -65.16 -46.85 89.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.72 -35.01 79.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.492 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 0.1 OUTLIER -61.5 -36.81 81.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.08 -36.39 81.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -40.52 87.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . 0.468 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 62.6 mt -59.54 -37.84 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -65.9 -36.52 83.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 4.5 mttm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.481 0.182 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.608 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.6 OUTLIER -90.8 -171.63 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.608 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -74.98 -16.33 20.31 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 111.025 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.42 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.5 OUTLIER -70.37 -45.72 65.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 537' ' ' LYS . 19.6 t70 -65.07 -37.64 88.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -78.59 -25.97 45.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.609 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 28.9 tt0 -96.36 9.12 42.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.47 ' CB ' HD13 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -69.62 -22.77 63.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.12 -31.71 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -56.38 -36.7 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.401 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.8 OUTLIER -70.19 -33.24 71.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.472 HG12 ' CD ' ' A' ' 567' ' ' LYS . 3.4 mt -93.63 -0.17 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.509 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -65.56 -44.49 86.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 539' ' ' ALA . 0.1 OUTLIER -70.33 -37.97 74.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 44.1 t -63.0 -32.81 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -81.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.223 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.673 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.9 OUTLIER -105.27 -36.87 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.673 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 14.8 tp 103.35 15.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 55.2 m -129.74 -40.42 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 84.47 -8.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . 0.432 ' HB2' ' CG2' ' A' ' 548' ' ' THR . 2.1 t0 -60.27 -40.7 91.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . 0.41 ' CD ' ' H ' ' A' ' 551' ' ' GLN . 4.0 mp0 -69.36 -45.14 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 2.8 mm -68.36 -27.12 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.67 -22.97 64.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.4 mmm -91.48 -1.28 57.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 11.4 mt -92.43 146.74 33.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.13 13.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.32 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -67.31 -8.14 29.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.2 mt-30 -114.73 -36.99 4.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.36 -58.8 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.5 OUTLIER -56.7 -29.98 63.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.0 OUTLIER -47.96 -29.23 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 541' ' ' ILE . 0.1 OUTLIER -67.29 -37.45 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -59.99 -34.93 74.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 82.4 mt -72.36 -44.41 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -44.79 90.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.472 ' CD ' HG12 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -68.42 -39.03 81.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.41 -36.01 79.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -65.94 -38.26 88.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 567' ' ' LYS . 23.7 mt -59.13 -40.9 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.97 -32.39 73.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.516 0.198 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 531' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.87 175.65 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -15.17 21.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.6 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -68.93 -42.0 77.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.6 ' N ' HE21 ' A' ' 533' ' ' GLN . 10.1 t70 -69.26 -37.77 78.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -26.38 66.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.571 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -84.38 7.35 19.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.498 ' O ' ' CD2' ' A' ' 540' ' ' LEU . 28.6 mmtt -66.47 -23.03 66.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -67.7 -33.66 75.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -58.52 -36.33 73.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 537' ' ' LYS . 0.4 OUTLIER -65.96 -33.47 75.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.455 HG12 ' CD ' ' A' ' 567' ' ' LYS . 5.2 mt -91.45 -17.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 538' ' ' ALA . 6.7 tmm? -58.95 -35.55 73.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 1.4 mt-30 -63.85 -48.9 74.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.34 -33.65 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.455 ' CD2' ' CD ' ' A' ' 546' ' ' GLN . 6.3 tp -55.27 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.605 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.77 -31.37 9.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.605 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 1.4 tp 96.4 32.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 3.0 p -155.4 132.58 10.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.466 ' CB ' ' HE3' ' A' ' 542' ' ' MET . . . -82.53 -24.1 34.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -60.96 -39.43 89.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.14 -44.29 84.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.479 HG13 ' CG ' ' A' ' 542' ' ' MET . 0.4 OUTLIER -73.97 -29.14 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -61.25 -22.7 65.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -83.24 -5.96 59.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 552' ' ' ILE . 87.9 mt -78.37 142.43 62.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 174.53 12.63 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . 0.6 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.4 Cg_endo -74.98 128.8 11.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 1.2 tt0 94.22 -17.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.0 OUTLIER -88.07 -30.73 19.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.433 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 14.8 mtm180 -61.57 -62.06 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -22.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -51.71 -33.08 32.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.464 ' CG2' ' HA ' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -63.81 -39.97 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.46 -34.15 72.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 44.3 mt -72.18 -45.8 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -34.78 78.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.455 ' CD ' HG12 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -61.17 -41.05 96.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.87 -34.09 75.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . 0.503 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 78.6 mt-30 -65.17 -38.96 92.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.7 -37.85 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.83 -43.38 93.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.52 0.2 . . . . 0.0 111.021 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.513 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 51.4 p -43.3 167.37 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.446 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.513 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.05 -13.22 21.37 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.463 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.1 OUTLIER -71.25 -40.09 71.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 537' ' ' LYS . 17.5 t0 -65.63 -37.72 87.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -68.02 -26.31 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.564 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.34 9.35 18.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 534' ' ' ASP . 0.4 OUTLIER -68.83 -23.1 64.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -63.88 -30.83 71.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.553 ' HA ' ' CG ' ' A' ' 542' ' ' MET . . . -54.71 -33.89 61.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.549 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 0.5 OUTLIER -65.6 -28.29 69.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.575 ' CG2' ' O ' ' A' ' 541' ' ' ILE . 8.0 mt -111.75 8.05 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.553 ' CG ' ' HA ' ' A' ' 539' ' ' ALA . 6.1 mtt -66.95 -32.71 74.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -60.67 -41.08 94.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.7 -43.24 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.498 ' CD2' ' CD1' ' A' ' 552' ' ' ILE . 0.1 OUTLIER -95.74 24.05 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 109.348 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -92.44 -6.3 50.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER -37.98 -31.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.526 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 23.6 m -133.35 -51.92 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 85.78 -21.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 554' ' ' MET . 6.6 t0 -66.48 -37.97 86.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . 0.428 ' NE2' ' HB ' ' A' ' 548' ' ' THR . 0.0 OUTLIER -68.13 -45.66 73.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.498 ' CD1' ' CD2' ' A' ' 545' ' ' LEU . 9.4 mm -72.75 -41.92 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 549' ' ' ALA . . . -63.47 -39.02 93.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 550' ' ' ASP . 2.2 mmt -79.28 -8.55 59.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 5.8 mt -81.27 148.87 64.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.4 Cg_endo -75.02 173.53 14.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.26 4.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.75 0.79 16.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 562' ' ' SER . 0.6 OUTLIER -121.17 -37.6 2.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.55 ' NH1' ' CE ' ' A' ' 542' ' ' MET . 0.6 OUTLIER -38.73 -55.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 564' ' ' LEU . 1.0 OUTLIER -61.62 -34.09 75.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 559' ' ' GLN . 1.5 t -45.15 -32.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.465 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.5 tp -61.95 -40.66 88.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.493 ' CD1' ' HB3' ' A' ' 537' ' ' LYS . 0.9 OUTLIER -58.4 -36.6 73.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 74.1 mt -72.23 -45.32 62.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.47 -45.16 84.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 541' ' ' ILE . 0.2 OUTLIER -68.92 -37.56 79.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 1.3 tt0 -62.34 -36.27 81.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -61.51 -40.39 94.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . 0.451 ' CD1' ' HE3' ' A' ' 567' ' ' LYS . 11.2 mt -60.11 -41.13 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 572' ' ' LYS . 1.4 mp0 -63.9 -43.23 96.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 571' ' ' GLN . 5.2 pttt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.422 ' SD ' ' HB2' ' A' ' 534' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.505 0.193 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.539 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 33.1 p -43.79 169.01 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.09 -13.15 21.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.592 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -71.17 -39.21 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.592 ' N ' HE21 ' A' ' 533' ' ' GLN . 15.6 t70 -69.32 -39.11 78.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -27.13 66.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.641 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -84.26 6.86 21.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.448 ' CB ' HD13 ' A' ' 564' ' ' LEU . 39.5 mmtt -65.61 -23.42 66.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.595 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -69.18 -33.61 73.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.451 ' HA ' ' HB3' ' A' ' 542' ' ' MET . . . -59.66 -37.62 79.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.3 OUTLIER -69.09 -35.54 76.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.463 HG23 ' CG2' ' A' ' 563' ' ' ILE . 3.5 mt -86.49 -19.81 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.595 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -59.95 -33.64 72.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.482 ' N ' ' HG2' ' A' ' 542' ' ' MET . 2.7 mt-30 -63.71 -48.04 78.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.0 t -69.76 -33.93 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -90.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.599 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.75 -26.48 12.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.359 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.599 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.4 OUTLIER 95.76 13.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.12 127.05 15.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 553' ' ' ALA . . . -79.87 1.75 25.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -66.47 -48.52 69.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 546' ' ' GLN . 1.6 mp0 -69.81 -40.69 75.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.1 mm -71.82 -29.86 35.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 549' ' ' ALA . . . -61.96 -28.47 69.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.72 -6.12 56.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.28 150.22 42.68 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.4 Cg_endo -74.96 172.28 16.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -35.36 3.16 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -72.54 -3.0 21.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.7 OUTLIER -117.08 -36.87 3.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 556' ' ' PRO . 1.2 mtm180 -45.01 -57.21 3.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -60.95 -27.75 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 2.4 t -44.69 -34.91 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.463 ' CG2' HG23 ' A' ' 541' ' ' ILE . 1.4 mm -62.04 -41.52 91.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 561' ' ' GLN . 3.7 tt -61.45 -39.32 90.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 69.6 mt -64.56 -49.01 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -35.01 76.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 567' ' ' LYS . 0.0 OUTLIER -62.04 -36.49 81.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.49 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.78 -33.86 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . 0.49 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 51.3 mt-30 -60.58 -39.35 87.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 58.1 mt -61.65 -41.25 89.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.99 -42.42 94.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.481 0.181 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 531' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.88 169.96 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.05 16.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.506 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.82 -40.48 75.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.506 ' N ' HE21 ' A' ' 533' ' ' GLN . 0.5 OUTLIER -66.17 -37.96 86.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 558' ' ' GLU . 3.8 m-70 -67.66 -25.52 65.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -81.18 5.94 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 564' ' ' LEU . 29.2 mttt -64.93 -23.42 67.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -64.51 -28.89 69.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -52.13 -33.29 39.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.7 OUTLIER -67.45 -30.35 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.509 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 2.0 mt -108.43 11.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.537 ' HB2' ' O ' ' A' ' 539' ' ' ALA . 0.0 OUTLIER -66.92 -43.08 84.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.79 91.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.15 -42.64 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.39 22.92 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 548' ' ' THR . 0.0 OUTLIER -93.6 -5.28 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 546' ' ' GLN . 0.7 OUTLIER -36.21 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.526 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 1.1 m -133.4 -51.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 86.44 -28.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 554' ' ' MET . 1.2 t70 -60.42 -38.88 85.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . 0.53 ' O ' ' CD2' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -67.01 -46.25 75.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 560' ' ' ARG . 27.7 mm -69.85 -42.82 80.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.66 -21.45 62.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.413 ' CB ' ' O ' ' A' ' 550' ' ' ASP . 4.5 ttm -71.55 -23.13 61.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 551' ' ' GLN . 0.1 OUTLIER -99.3 159.3 30.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.46 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.1 Cg_endo -75.04 174.79 12.19 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.15 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 535' ' ' HIS . 3.3 tt0 -72.15 -2.15 17.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.46 ' HB2' ' HD2' ' A' ' 556' ' ' PRO . 1.1 mt-30 -117.55 -35.12 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.479 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 1.7 mtm180 -37.88 -50.55 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.1 OUTLIER -39.71 -26.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 560' ' ' ARG . 2.9 m -45.35 -35.22 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.26 -36.62 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 561' ' ' GLN . 2.8 tt -67.74 -39.47 84.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 16.3 mm -64.07 -46.89 92.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -34.74 78.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.509 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 0.2 OUTLIER -61.46 -41.15 96.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.81 -44.93 94.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -63.83 -39.14 93.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 57.3 mt -59.98 -40.62 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -41.83 97.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.977 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.538 0.208 . . . . 0.0 111.0 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 530' ' ' MET . 0.3 OUTLIER -44.44 169.17 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.398 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.96 19.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.449 1.763 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.464 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.03 -39.99 75.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.464 ' N ' HE21 ' A' ' 533' ' ' GLN . 19.3 t70 -66.09 -39.61 90.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.0 -25.75 66.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -84.62 8.14 17.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -21.6 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -65.63 -33.07 75.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.17 -35.18 66.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.497 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.4 OUTLIER -61.65 -32.85 73.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.485 HG12 ' CG ' ' A' ' 567' ' ' LYS . 1.4 mp -96.91 -13.67 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.477 ' HB3' ' O ' ' A' ' 539' ' ' ALA . 3.0 tmm? -58.2 -40.68 82.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 539' ' ' ALA . 0.2 OUTLIER -69.81 -37.71 76.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.35 -33.96 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.4 HD21 ' N ' ' A' ' 545' ' ' LEU . 2.6 mm? -71.94 -100.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.444 ' HG3' ' NE2' ' A' ' 551' ' ' GLN . 2.8 pm0 -105.96 -29.57 9.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.423 ' HB3' ' O ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER 72.7 96.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.547 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 52.7 m -159.05 -42.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.379 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 87.24 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -59.96 -38.07 81.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 554' ' ' MET . 1.2 mt-30 -63.49 -40.89 98.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.13 -27.97 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.41 90.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.461 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 10.4 ptm -76.77 -11.06 59.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.14 143.21 42.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.4 Cg_endo -75.02 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.43 3.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.66 -1.52 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.8 mt-30 -120.82 -38.02 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -47.08 -56.18 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -62.87 -23.93 67.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.1 t -46.53 -34.41 4.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' A' ' 567' ' ' LYS . 49.0 mm -63.08 -36.0 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 561' ' ' GLN . 3.4 tt -61.78 -39.35 91.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 19.9 mt -68.66 -49.33 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -28.6 66.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' A' ' 563' ' ' ILE . 0.9 OUTLIER -55.58 -41.53 73.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -62.58 -38.13 88.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -66.37 -39.04 88.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 72.0 mt -65.12 -41.65 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -43.31 89.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 7.6 mttp . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.96 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.515 0.197 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.587 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.6 OUTLIER -92.28 -172.56 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.04 -18.32 18.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.563 1.823 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.591 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.23 -39.14 75.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.591 ' N ' HE21 ' A' ' 533' ' ' GLN . 5.5 t70 -60.93 -47.18 87.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 532' ' ' PRO . 0.0 OUTLIER -77.04 -38.25 53.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.579 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 30.2 tt0 -80.71 2.72 24.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 533' ' ' GLN . 0.6 OUTLIER -67.26 -22.29 65.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -67.36 -32.09 72.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 542' ' ' MET . . . -56.69 -39.73 74.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.476 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 0.6 OUTLIER -69.12 -33.57 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.492 ' CG1' ' HG3' ' A' ' 567' ' ' LYS . 4.6 mt -86.17 -20.73 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.621 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -56.99 -32.14 65.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.5 ' N ' ' HG2' ' A' ' 542' ' ' MET . 2.4 mt-30 -63.45 -47.29 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.252 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.8 -32.28 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.503 ' CD2' ' OE1' ' A' ' 546' ' ' GLN . 8.3 tp -57.96 -91.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.646 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 3.0 pm0 -105.56 -19.9 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.646 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 7.9 tp 100.33 -62.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.446 ' O ' ' NE2' ' A' ' 546' ' ' GLN . 2.1 p -58.57 106.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.482 ' CB ' ' SD ' ' A' ' 542' ' ' MET . . . -60.69 -28.05 68.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -37.98 80.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . 0.496 ' O ' ' CG ' ' A' ' 554' ' ' MET . 8.6 mt-30 -61.74 -45.28 94.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.495 ' HA ' ' CD1' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -75.09 -34.04 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.82 -22.84 64.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 0.0 OUTLIER -81.95 -6.46 59.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.576 ' HB3' ' NH2' ' A' ' 560' ' ' ARG . 6.7 mt -92.61 157.96 39.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.84 32.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.67 2.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.74 -11.94 30.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.9 mt-30 -104.47 -38.31 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.635 ' HA ' ' CZ ' ' A' ' 560' ' ' ARG . 0.0 OUTLIER -48.31 -65.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.67 -23.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.7 OUTLIER -63.21 -38.19 90.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.96 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.69 -37.37 77.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.428 HD13 ' CB ' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -62.84 -38.9 92.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 82.4 mt -65.75 -47.28 86.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -33.43 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.492 ' HG3' ' CG1' ' A' ' 541' ' ' ILE . 1.6 mmtt -61.44 -48.79 79.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 8.3 pt-20 -65.52 -35.04 79.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . 0.421 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.8 OUTLIER -62.3 -37.27 84.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.35 -35.47 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -60.41 -43.04 97.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 17.2 mttt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.52 0.2 . . . . 0.0 110.998 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.513 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 44.1 p -43.75 167.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.513 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -74.99 -14.08 21.26 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.466 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.2 OUTLIER -71.21 -40.35 71.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.402 ' OD1' ' OE1' ' A' ' 561' ' ' GLN . 10.7 t70 -66.67 -37.95 85.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -67.38 -25.93 66.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.84 5.53 21.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -65.54 -23.51 66.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 560' ' ' ARG . . . -69.63 -33.03 72.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -56.8 -36.81 70.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.502 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.3 OUTLIER -58.03 -34.4 70.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.46 HG12 ' CD ' ' A' ' 567' ' ' LYS . 3.7 mt -93.88 -26.56 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.478 ' HG2' ' CG1' ' A' ' 552' ' ' ILE . 1.3 tpt -57.42 -31.57 66.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 540' ' ' LEU . 6.3 mt-30 -60.09 -37.73 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.42 -32.37 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.9 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 3.3 pm0 -105.79 -34.92 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.554 ' O ' ' CG2' ' A' ' 548' ' ' THR . 0.0 OUTLIER 86.63 92.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.554 ' CG2' ' O ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -178.43 107.56 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.16 -23.44 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.57 -38.76 85.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . 0.468 ' HG3' ' CB ' ' A' ' 548' ' ' THR . 1.1 mt-30 -65.44 -39.87 92.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.478 ' CG1' ' HG2' ' A' ' 542' ' ' MET . 1.7 mm -74.73 -25.79 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.69 72.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.401 ' CE ' HD22 ' A' ' 555' ' ' LEU . 0.7 OUTLIER -80.35 -7.45 59.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.401 HD22 ' CE ' ' A' ' 554' ' ' MET . 12.1 mt -75.99 143.95 75.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.44 12.78 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . 0.578 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.01 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . 0.578 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 0.1 OUTLIER 92.19 -14.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.466 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.6 OUTLIER -91.49 -30.57 16.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 538' ' ' ALA . 10.8 mtm105 -60.44 -64.9 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.402 ' OE1' ' OD1' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -58.58 -14.88 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.3 t -47.93 -36.78 12.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.435 ' HB ' ' CB ' ' A' ' 538' ' ' ALA . 1.5 mt -61.42 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.1 -33.52 73.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 12.4 mm -71.27 -46.77 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -34.76 78.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.46 ' CD ' HG12 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -61.42 -36.22 79.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.1 OUTLIER -61.1 -35.38 76.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.9 OUTLIER -66.57 -38.66 87.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.45 -34.7 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -64.41 -40.56 96.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.5 mttt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 179.992 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.563 ' HB3' ' CE1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.506 0.193 . . . . 0.0 110.971 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.43 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 72.8 p -41.95 164.32 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.05 -16.61 20.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.6 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.74 -39.51 73.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.6 ' N ' HE21 ' A' ' 533' ' ' GLN . 24.7 t70 -63.75 -46.17 86.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.604 ' CE1' ' CG ' ' A' ' 558' ' ' GLU . 6.5 m-70 -71.31 -25.81 62.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.548 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -81.76 2.93 27.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.483 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 4.0 mtpt -63.48 -22.87 67.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -66.58 -30.47 70.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.52 ' HA ' ' CG ' ' A' ' 542' ' ' MET . . . -54.39 -32.91 58.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.495 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 1.5 tp -67.4 -31.26 71.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.549 ' CG2' ' O ' ' A' ' 541' ' ' ILE . 3.0 mt -105.79 5.39 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 538' ' ' ALA . 13.0 mtp -66.51 -32.44 73.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 1.5 mp0 -61.52 -40.26 94.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.07 -42.92 76.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.465 HD21 ' CD1' ' A' ' 552' ' ' ILE . 0.0 OUTLIER -95.28 21.63 7.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -87.33 -10.13 53.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 546' ' ' GLN . 1.8 tm? -39.92 -29.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.536 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 25.0 m -129.31 -53.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.363 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 87.49 -33.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 554' ' ' MET . 2.8 t0 -59.57 -38.03 80.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . 0.437 ' OE1' ' CD2' ' A' ' 545' ' ' LEU . 1.8 pt20 -61.74 -45.25 94.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.465 ' CD1' HD21 ' A' ' 545' ' ' LEU . 21.1 mm -74.94 -41.27 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -63.98 -22.63 67.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.465 ' CG ' ' O ' ' A' ' 550' ' ' ASP . 1.7 mmt -87.71 -5.15 58.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 45.2 mt -83.67 140.55 41.08 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -75.02 175.26 11.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.424 1.749 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.0 127.52 10.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.79 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . 0.604 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 0.7 OUTLIER 93.66 -15.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.32 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.3 OUTLIER -91.96 -30.46 16.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -50.1 -58.47 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 564' ' ' LEU . 24.9 tt0 -39.4 -35.23 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 6.0 t -43.83 -34.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.7 tp -62.15 -41.63 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 561' ' ' GLN . 0.7 OUTLIER -58.46 -39.37 79.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 14.2 mt -66.72 -45.57 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.16 -44.35 84.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 570' ' ' ILE . 0.0 OUTLIER -68.96 -36.69 78.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.41 -40.67 97.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.22 -39.11 91.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 567' ' ' LYS . 14.9 mt -59.87 -38.26 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -62.02 -37.35 84.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.0 mttt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.949 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.474 ' CG ' ' HB3' ' A' ' 534' ' ' ASP . 12.8 ttp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.49 0.186 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.478 ' HB ' ' NE2' ' A' ' 533' ' ' GLN . 28.7 p -48.4 166.33 0.22 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -74.99 -15.65 20.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.478 ' NE2' ' HB ' ' A' ' 531' ' ' THR . 0.5 OUTLIER -70.15 -40.05 74.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.474 ' HB3' ' CG ' ' A' ' 530' ' ' MET . 54.7 t0 -60.38 -36.96 79.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 535' ' ' HIS . 2.0 m170 -67.1 -27.49 67.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -77.69 1.07 21.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.475 ' CB ' HD11 ' A' ' 564' ' ' LEU . 33.9 mmtt -65.7 -22.79 66.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.549 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -69.82 -32.92 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -56.14 -35.01 66.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.467 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.5 OUTLIER -66.71 -31.35 71.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.481 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 2.8 mt -96.33 -12.84 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.549 ' N ' ' O ' ' A' ' 538' ' ' ALA . 30.6 mmm -57.88 -35.36 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.485 ' HA ' ' CB ' ' A' ' 547' ' ' LEU . 0.1 OUTLIER -63.35 -39.09 93.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 36.3 t -63.17 -32.17 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -78.52 -96.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.604 ' NE2' ' N ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -106.41 -34.68 7.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.604 ' N ' ' NE2' ' A' ' 546' ' ' GLN . 0.2 OUTLIER 80.85 94.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.518 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 6.5 m -163.97 -53.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 85.44 -40.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -59.25 -36.67 75.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . 0.456 ' NE2' ' HG2' ' A' ' 546' ' ' GLN . 4.8 mt-30 -61.31 -37.32 82.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.497 HG13 ' CG ' ' A' ' 542' ' ' MET . 1.1 mm -63.34 -27.73 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.15 -22.52 61.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.1 mmt -91.07 2.1 56.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 16.0 mt -112.39 149.82 41.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -43.0 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.806 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -62.59 -12.78 25.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.4 mt-30 -109.32 -33.19 6.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.485 ' CD ' HG21 ' A' ' 552' ' ' ILE . 1.9 ttp180 -55.53 -70.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.506 ' OE1' ' CD2' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -53.34 -19.52 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.1 t -50.8 -35.73 33.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 8.1 mt -61.86 -37.6 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.506 ' CD2' ' OE1' ' A' ' 561' ' ' GLN . 6.2 tt -68.12 -40.52 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 37.6 mt -62.65 -48.79 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.86 -34.84 77.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.481 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 4.9 mmtt -62.38 -37.67 86.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.95 -38.89 92.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -67.07 -39.34 86.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.33 -39.61 81.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.76 -43.17 89.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.1 mttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.986 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.476 0.179 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 530' ' ' MET . 0.0 OUTLIER -46.26 172.64 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -13.26 21.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.412 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 1.0 OUTLIER -69.65 -40.23 76.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.98 -37.59 86.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -72.73 -28.26 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -83.0 5.0 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.474 ' CB ' HD11 ' A' ' 564' ' ' LEU . 5.4 mmtp -63.99 -23.33 67.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -65.95 -34.43 78.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.486 ' O ' ' OE1' ' A' ' 543' ' ' GLN . . . -63.15 -33.24 75.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.5 OUTLIER -64.48 -30.15 71.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.543 ' CG2' ' O ' ' A' ' 541' ' ' ILE . 0.4 OUTLIER -108.98 3.53 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 538' ' ' ALA . 6.0 tmm? -66.53 -31.26 71.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.3 OUTLIER -60.62 -47.7 85.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.945 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.41 -34.05 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.494 ' CD2' ' CD1' ' A' ' 563' ' ' ILE . 0.2 OUTLIER -54.37 -88.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.609 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -107.56 -26.34 10.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 1.5 tt 96.67 22.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 542' ' ' MET . 7.4 m -152.43 144.83 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.435 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.401 ' HB1' ' CE ' ' A' ' 542' ' ' MET . . . -88.98 -24.1 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.33 -39.03 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -68.72 -39.46 80.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.485 HG13 ' CG ' ' A' ' 542' ' ' MET . 1.9 mm -70.67 -27.73 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.59 -22.86 64.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.47 -8.81 59.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 45.7 mt -100.08 146.68 32.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 173.53 14.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.24 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -66.15 -8.87 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.7 OUTLIER -112.8 -38.66 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.438 ' O ' ' CB ' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -45.04 -59.42 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -57.27 -35.56 69.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -45.09 -34.0 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.947 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.494 ' CD1' ' CD2' ' A' ' 545' ' ' LEU . 1.8 tt -63.82 -44.1 98.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -57.21 -34.42 68.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.14 -46.58 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.48 -44.89 81.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.478 ' HG2' ' CG2' ' A' ' 541' ' ' ILE . 2.5 mptt -67.07 -35.03 78.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 1.5 mm-40 -61.15 -36.45 79.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -61.49 -40.82 95.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 43.6 mt -60.05 -41.49 86.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.77 -32.02 73.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 28.3 mttt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.977 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.466 0.174 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 531' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.46 171.79 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.404 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -13.16 21.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.416 ' CD ' ' C ' ' A' ' 533' ' ' GLN . 0.6 OUTLIER -69.79 -46.73 65.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.54 -39.01 86.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -67.47 -27.03 66.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.588 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -83.11 6.31 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -64.56 -23.4 67.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.67 -32.33 72.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.464 ' HA ' ' HB3' ' A' ' 542' ' ' MET . . . -56.74 -37.68 71.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.495 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 0.6 OUTLIER -70.57 -33.13 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.478 ' CG2' ' HG2' ' A' ' 567' ' ' LYS . 6.3 mt -90.46 -9.73 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.593 ' N ' ' O ' ' A' ' 538' ' ' ALA . 1.9 ptt? -66.76 -34.37 77.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.512 ' N ' ' HG2' ' A' ' 542' ' ' MET . 1.2 mt-30 -64.17 -39.5 94.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.9 t -63.36 -32.57 57.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.423 ' CD2' ' NZ ' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -73.76 -97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.492 ' OE1' ' OG1' ' A' ' 548' ' ' THR . 0.2 OUTLIER -106.08 -36.19 7.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.552 ' CD1' ' O ' ' A' ' 547' ' ' LEU . 0.2 OUTLIER 76.96 98.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 548' ' ' THR . . . . . 0.527 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 47.5 p -157.47 -46.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 86.02 -44.2 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -63.72 -39.21 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -64.29 -38.79 92.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.45 ' CG2' ' HD2' ' A' ' 560' ' ' ARG . 12.4 mm -63.85 -26.76 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.16 -22.54 64.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 2.8 mmt -83.74 -8.53 59.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 12.0 mt -74.79 143.15 77.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -75.02 175.01 11.81 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.811 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . 0.504 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.5 Cg_endo -74.96 130.06 12.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 2.0 mt-10 87.02 -13.15 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 110.356 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.1 OUTLIER -91.6 -30.05 16.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.45 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 0.0 OUTLIER -56.26 -60.43 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -18.6 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 2.7 t -48.7 -35.85 14.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -62.18 -42.38 94.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 537' ' ' LYS . 2.1 tt -59.71 -34.59 73.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 15.0 mm -70.13 -46.08 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -35.46 80.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.478 ' HG2' ' CG2' ' A' ' 541' ' ' ILE . 0.0 OUTLIER -68.67 -45.85 70.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.52 -35.36 77.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 10.5 mt-30 -63.21 -38.61 91.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 30.4 mt -59.37 -41.89 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . 0.406 ' OE1' ' CA ' ' A' ' 571' ' ' GLN . 0.9 OUTLIER -64.86 -38.51 91.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.978 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.415 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.538 0.208 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.462 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 70.6 p -41.96 164.88 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.03 -20.18 17.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.594 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.41 -39.38 74.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.594 ' N ' HE21 ' A' ' 533' ' ' GLN . 4.2 t70 -66.91 -37.19 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.56 -25.97 61.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.629 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.57 7.2 46.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . 0.472 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 0.5 OUTLIER -70.03 -22.53 63.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.02 -31.12 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -53.9 -37.05 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.486 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 3.0 tp -70.11 -32.78 70.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.508 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 7.2 mm -90.14 -10.24 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.553 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -60.72 -41.52 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.57 ' O ' ' HA ' ' A' ' 547' ' ' LEU . 0.2 OUTLIER -67.13 -47.44 71.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 22.2 t -69.63 -34.77 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 546' ' ' GLN . 3.1 tm? -45.97 -84.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.67 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.8 OUTLIER -104.49 -38.87 6.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.67 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 5.1 tp 149.2 -20.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 19.7 p -147.17 157.0 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 542' ' ' MET . . . -86.13 -5.43 59.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -62.58 -42.95 99.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -65.58 -44.54 86.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.485 HG22 ' CE ' ' A' ' 542' ' ' MET . 1.3 mm -74.45 -22.42 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -54.27 -21.46 9.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -15.28 60.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.55 152.26 43.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.491 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.1 Cg_endo -75.08 171.76 17.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.03 3.38 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -73.33 -1.88 19.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.8 mt-30 -119.36 -36.33 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 556' ' ' PRO . 3.0 mtm180 -40.98 -55.01 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -46.45 -30.12 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.248 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 76.9 p -42.08 -42.06 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.082 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 13.4 mm -59.16 -42.64 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 561' ' ' GLN . 0.9 OUTLIER -61.6 -39.2 90.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 72.4 mt -65.63 -47.42 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -34.54 78.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.508 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 2.4 mmtt -61.21 -36.9 81.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.38 -36.29 81.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -67.3 -39.01 85.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . 0.455 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 66.0 mt -59.76 -41.72 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.98 -39.99 94.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 35.2 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.962 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 530' ' ' MET . . . . . 0.419 ' HB3' ' CE1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.491 0.186 . . . . 0.0 111.048 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 531' ' ' THR . . . . . 0.456 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 73.2 p -41.83 164.59 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.406 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . 0.456 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -18.77 18.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 533' ' ' GLN . . . . . 0.602 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.56 -39.26 74.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.953 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 534' ' ' ASP . . . . . 0.602 ' N ' HE21 ' A' ' 533' ' ' GLN . 4.2 t70 -67.91 -39.23 83.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.419 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 13.3 m-70 -67.36 -26.73 66.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.63 9.65 15.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -68.99 -25.05 64.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.595 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -70.92 -31.27 67.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 539' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 542' ' ' MET . . . -55.55 -36.13 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 540' ' ' LEU . . . . . 0.421 ' HA ' ' NE2' ' A' ' 543' ' ' GLN . 0.0 OUTLIER -67.59 -36.04 80.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.506 ' CD1' ' HG3' ' A' ' 567' ' ' LYS . 1.9 mt -85.85 -25.2 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 542' ' ' MET . . . . . 0.595 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -56.66 -32.02 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' A' ' 547' ' ' LEU . 3.6 mt-30 -60.91 -41.04 95.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.82 -29.5 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.518 ' CD2' ' OE1' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -68.75 -78.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 546' ' ' GLN . . . . . 0.609 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 3.1 mp0 -101.72 -37.14 8.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.6 OUTLIER 96.59 16.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 3.0 m -143.59 140.06 29.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.438 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 549' ' ' ALA . . . . . 0.476 ' CB ' ' HE2' ' A' ' 542' ' ' MET . . . -88.81 0.82 56.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -64.98 -48.45 73.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . 0.421 ' NE2' ' CB ' ' A' ' 546' ' ' GLN . 1.1 mp0 -70.01 -39.17 76.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 542' ' ' MET . 0.9 OUTLIER -70.42 -30.21 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.1 -22.77 63.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -4.2 53.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 9.7 mt -92.49 146.9 33.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -74.97 173.07 15.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.39 2.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.779 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -71.73 -3.7 23.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.7 mt-30 -116.64 -37.74 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 560' ' ' ARG . . . . . 0.524 ' O ' ' CB ' ' A' ' 538' ' ' ALA . 2.7 ttp180 -51.79 -62.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 561' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -56.34 -26.37 52.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.23 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 562' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.7 t -44.31 -35.47 2.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 563' ' ' ILE . . . . . 0.434 ' HB ' ' CB ' ' A' ' 538' ' ' ALA . 0.5 OUTLIER -61.59 -41.18 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 561' ' ' GLN . 2.0 tt -60.48 -35.42 75.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 15.4 mm -69.01 -46.16 79.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.48 -31.81 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.506 ' HG3' ' CD1' ' A' ' 541' ' ' ILE . 2.5 mmtt -59.91 -49.0 79.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 6.6 pt-20 -66.48 -34.55 78.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.243 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 569' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -64.98 -37.09 86.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 70.8 mt -57.96 -41.68 80.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 571' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 567' ' ' LYS . 1.3 mp0 -60.56 -40.75 92.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -37.68 111.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 111.014 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.449 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 71.6 p -41.7 164.52 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.355 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.06 -18.42 18.61 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.565 1.823 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.587 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.56 -39.2 74.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.587 ' N ' HE21 ' A' ' 533' ' ' GLN . 10.5 t70 -66.45 -39.32 88.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 557' ' ' PRO . 16.7 m-70 -67.29 -25.74 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -82.2 5.22 20.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -69.62 -22.35 63.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.577 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -69.87 -32.53 70.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.21 -36.73 68.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.482 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 1.4 tp -64.1 -32.71 74.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.528 ' CG2' ' CD1' ' A' ' 545' ' ' LEU . 2.9 mt -99.25 -6.54 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.577 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -65.57 -38.42 89.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.2 OUTLIER -65.43 -46.92 78.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.6 t -70.5 -34.09 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.528 ' CD1' ' CG2' ' A' ' 541' ' ' ILE . 2.6 mp -53.56 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 2.2 pm0 -105.51 -27.38 11.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.557 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.2 OUTLIER 91.87 37.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.516 ' CG2' ' O ' ' A' ' 547' ' ' LEU . 1.1 p -162.89 116.63 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.457 ' CA ' ' SD ' ' A' ' 542' ' ' MET . . . -69.82 -22.64 63.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -39.52 91.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -69.11 -42.13 76.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.42 HD12 ' CD2' ' A' ' 545' ' ' LEU . 0.9 OUTLIER -74.35 -27.54 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -60.76 -29.29 69.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -8.0 55.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 24.2 mt -91.29 150.07 40.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.511 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.3 Cg_endo -75.01 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.534 1.808 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 535' ' ' HIS . 18.3 Cg_endo -75.02 -35.39 3.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -73.05 -2.09 19.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -118.36 -36.13 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 556' ' ' PRO . 0.9 OUTLIER -45.63 -60.03 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -58.29 -27.77 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.6 t -46.93 -34.1 5.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 40.9 mm -62.14 -36.48 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 561' ' ' GLN . 3.1 tt -67.47 -39.93 85.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.76 -47.55 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -34.99 78.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.495 ' HG3' ' CG1' ' A' ' 541' ' ' ILE . 1.6 mmtt -61.93 -36.71 82.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.11 -36.62 82.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -62.33 -40.74 97.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 83.2 mt -60.01 -35.28 60.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -64.1 -34.01 77.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 8.6 mttt 59.8 99.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 7.7 t -165.35 -57.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 16.9 m 54.29 104.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 173.69 62.83 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -114.61 154.6 46.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.317 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 0.0 110.971 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.68 118.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.67 167.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -19.71 17.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.569 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.88 -40.07 75.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.569 ' N ' HE21 ' A' ' 533' ' ' GLN . 7.2 t70 -66.38 -40.15 89.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -77.22 -34.18 56.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.547 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.57 8.87 31.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.476 ' CB ' HD13 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -69.53 -23.21 63.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -66.75 -32.98 74.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.22 -36.42 70.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.449 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 0.0 OUTLIER -68.54 -32.27 72.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.503 ' CD1' ' HG3' ' A' ' 567' ' ' LYS . 2.9 mp -101.5 9.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 538' ' ' ALA . 2.4 tmm? -66.71 -43.59 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -62.84 -38.85 92.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.92 -33.53 61.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.483 ' CD2' HG23 ' A' ' 541' ' ' ILE . 1.9 mm? -55.55 -93.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.74 -18.75 14.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.562 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 93.24 31.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.423 ' OG1' ' C ' ' A' ' 547' ' ' LEU . 2.1 m -154.7 138.76 16.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -84.73 -28.66 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.36 -39.32 90.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -64.61 -40.74 96.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.477 ' HA ' ' CD1' ' A' ' 555' ' ' LEU . 0.7 OUTLIER -72.29 -32.8 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.33 -22.83 65.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 77.4 mtp -80.24 -10.29 59.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 552' ' ' ILE . 2.4 mt -99.3 151.17 37.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 174.15 13.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -40.41 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.31 -9.07 29.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.8 OUTLIER -109.7 -34.69 6.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -59.46 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -51.89 -28.64 16.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.3 t -45.2 -35.57 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 8.5 mt -62.22 -40.46 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.476 HD13 ' CB ' ' A' ' 537' ' ' LYS . 2.3 tt -62.02 -38.69 89.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.453 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 18.8 mm -65.57 -47.47 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -33.95 74.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.503 ' HG3' ' CD1' ' A' ' 541' ' ' ILE . 5.8 mmtt -61.11 -48.01 83.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 10.6 pt-20 -67.93 -35.75 78.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.5 OUTLIER -62.91 -38.23 90.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 24.8 mt -59.09 -38.08 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -60.47 -42.57 96.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.96 67.85 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 4.4 t -148.31 85.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 23.5 m 46.99 81.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.366 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -81.58 163.89 44.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -130.15 85.08 58.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.506 1.792 . . . . 0.0 111.026 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 529' ' ' HIS . 22.0 p-80 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.408 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -37.74 122.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 530' ' ' MET . 0.3 OUTLIER -44.35 169.16 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -19.59 17.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.426 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.67 -39.48 76.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.426 ' N ' HE21 ' A' ' 533' ' ' GLN . 10.5 t70 -65.44 -35.98 82.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -77.26 -29.69 54.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 536' ' ' GLU . 0.4 OUTLIER -83.59 5.0 25.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.452 ' CB ' HD13 ' A' ' 564' ' ' LEU . 1.1 mmpt? -64.23 -23.08 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.15 -33.64 74.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.98 -38.24 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.45 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 2.2 tp -68.22 -33.43 74.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 567' ' ' LYS . 3.1 mt -92.92 -2.67 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 538' ' ' ALA . 2.9 ttp -66.08 -37.18 85.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.2 OUTLIER -63.91 -40.42 96.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.12 -31.98 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -100.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.746 ' NE2' HE22 ' A' ' 551' ' ' GLN . 0.0 OUTLIER -106.07 -25.21 12.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.431 HD13 ' CB ' ' A' ' 543' ' ' GLN . 0.5 OUTLIER 67.92 61.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.531 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 1.5 m -136.92 -48.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 86.44 -20.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . 0.403 ' CB ' HG23 ' A' ' 548' ' ' THR . 20.3 t0 -65.76 -46.29 79.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . 0.746 HE22 ' NE2' ' A' ' 546' ' ' GLN . 0.0 OUTLIER -68.7 -39.31 80.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' A' ' 563' ' ' ILE . 1.1 mm -74.81 -28.16 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -64.24 -38.52 91.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 10.6 ptp -81.06 -3.17 50.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 36.9 mt -86.97 148.01 44.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.56 14.31 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -40.43 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.62 -8.26 26.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.5 OUTLIER -110.35 -38.69 5.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.38 -62.96 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -56.56 -26.9 56.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -46.27 -35.95 5.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.471 ' CD1' HD12 ' A' ' 552' ' ' ILE . 3.1 mt -62.2 -39.36 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.452 HD13 ' CB ' ' A' ' 537' ' ' LYS . 2.9 tt -64.33 -39.46 93.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 15.9 mm -65.49 -47.94 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -33.97 75.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.479 ' HG3' ' CD1' ' A' ' 541' ' ' ILE . 8.6 mmtt -60.8 -37.29 81.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -62.15 -36.57 82.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.294 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -62.96 -39.07 93.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.77 -40.53 87.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.85 -41.53 95.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -88.18 69.99 9.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 1.4 t -128.74 111.44 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.012 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 18.3 m -56.68 -56.89 15.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -65.34 -150.84 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -106.81 114.36 61.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 530' ' ' MET . 3.3 t-160 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 529' ' ' HIS . 0.0 OUTLIER -37.18 111.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.505 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 44.4 p -43.49 167.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.505 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.05 -13.36 21.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 110.959 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.464 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.3 OUTLIER -70.87 -40.09 72.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.29 -37.18 86.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -68.56 -25.89 65.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -83.92 6.15 22.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 18.0 mtpt -64.06 -24.51 67.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -70.3 -33.36 71.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.32 -35.83 70.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.5 OUTLIER -64.21 -32.67 74.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 564' ' ' LEU . 2.3 mt -98.08 -6.85 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 538' ' ' ALA . 2.6 tmm? -65.64 -43.01 90.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -67.95 -37.38 81.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.8 -33.59 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 567' ' ' LYS . 41.1 tp -73.12 -101.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.495 ' CD ' ' N ' ' A' ' 547' ' ' LEU . 1.7 pp0? -107.62 -30.3 8.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 0.2 OUTLIER 76.36 105.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.505 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 18.5 m -163.06 -47.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 83.96 -45.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -37.94 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -68.24 -39.09 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 7.2 mm -67.5 -31.17 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.51 67.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 2.6 mmm -78.36 -8.62 58.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 31.7 mt -99.08 147.31 33.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 174.15 13.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -40.67 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.73 -9.48 28.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -111.55 -36.92 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -46.7 -60.62 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -30.78 71.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' SER . . . . . . . . . . . . . 3.1 t -51.49 -34.5 36.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.1 tt -62.31 -41.44 91.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.484 ' HA ' ' CD1' ' A' ' 541' ' ' ILE . 1.1 tt -58.43 -34.32 70.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 82.8 mt -72.35 -45.82 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -44.84 82.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.477 ' HG2' ' CG2' ' A' ' 541' ' ' ILE . 0.1 OUTLIER -67.32 -35.67 79.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 6.3 mm-40 -60.85 -36.23 78.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.3 -38.52 91.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 26.3 mt -59.52 -41.94 86.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.0 -34.69 78.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 52.9 85.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.63 164.9 18.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 4.2 m -139.54 94.32 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.357 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 163.84 -131.89 2.58 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -109.77 157.13 38.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 530' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.411 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -37.64 111.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.444 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 73.2 p -41.9 164.54 0.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.0 -18.77 18.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.593 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.48 -39.29 74.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.593 ' N ' HE21 ' A' ' 533' ' ' GLN . 7.6 t70 -66.99 -37.24 83.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.407 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 1.7 m-70 -74.65 -26.92 60.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.58 9.22 30.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.469 ' CG ' HD11 ' A' ' 564' ' ' LEU . 13.7 tttt -70.11 -22.97 62.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -62.44 -33.56 75.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -57.74 -37.24 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 1.9 tp -68.7 -33.36 73.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.485 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 7.0 mm -87.08 -19.37 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.532 ' N ' ' O ' ' A' ' 538' ' ' ALA . 7.5 mtt -58.08 -35.54 71.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -63.85 -48.32 77.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.69 -34.69 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.17 -87.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.557 ' O ' ' CG ' ' A' ' 547' ' ' LEU . 3.0 pm0 -103.86 -32.03 9.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.557 ' CG ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 88.45 42.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.569 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 3.8 m -147.07 -48.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 88.56 -33.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -59.99 -39.29 85.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -64.59 -43.58 93.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.472 ' CG2' ' SD ' ' A' ' 542' ' ' MET . 0.3 OUTLIER -74.77 -25.79 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.59 61.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 7.2 mtp -77.88 -11.53 59.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 15.8 mt -86.32 155.27 57.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.08 13.4 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -41.98 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -64.98 -10.03 26.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.556 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.2 mt-30 -106.39 -34.59 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.77 -57.63 3.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -57.99 -29.66 65.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.9 t -47.24 -35.34 7.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.011 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 27.2 mm -62.74 -36.75 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.469 HD11 ' CG ' ' A' ' 537' ' ' LYS . 0.9 OUTLIER -67.2 -39.55 86.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 16.4 mm -64.06 -47.41 90.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -34.39 76.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.485 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 1.9 mmtt -61.41 -42.14 98.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.86 -35.42 78.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . 0.46 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -64.45 -39.04 93.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . 0.444 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 96.4 mt -59.71 -40.97 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -60.61 -34.38 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt 61.11 174.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.41 157.84 24.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 88.9 m 66.07 89.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 153.24 -76.93 0.22 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.108 . . . . 0.0 111.044 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . 0.547 ' N ' ' CD ' ' A' ' 577' ' ' PRO . . . -71.27 -50.07 11.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 576' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -38.88 121.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 111.02 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 530' ' ' MET . 0.2 OUTLIER -44.5 169.27 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.421 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -18.9 18.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -40.14 76.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.403 ' OD2' ' CD ' ' A' ' 561' ' ' GLN . 4.1 t70 -67.01 -37.03 83.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -75.14 -39.75 60.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -83.08 5.51 22.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -23.26 67.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 560' ' ' ARG . . . -63.1 -33.26 75.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.52 -38.65 72.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.405 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 2.8 tp -68.55 -33.35 73.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.492 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 2.2 mt -95.59 9.33 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.492 ' SD ' ' CB ' ' A' ' 549' ' ' ALA . 1.1 ttp -66.01 -45.54 81.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.445 ' N ' ' HE1' ' A' ' 542' ' ' MET . 0.1 OUTLIER -71.62 -38.74 70.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.97 -32.96 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 545' ' ' LEU . 0.1 OUTLIER -73.83 -101.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.497 ' OE1' ' CB ' ' A' ' 548' ' ' THR . 0.3 OUTLIER -107.25 -23.06 12.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.46 ' N ' ' CD ' ' A' ' 546' ' ' GLN . 0.9 OUTLIER 72.39 92.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 68.0 m -157.01 -47.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 83.68 -45.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.2 -38.69 80.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . 0.445 ' NE2' ' HG2' ' A' ' 546' ' ' GLN . 13.7 mt-30 -69.11 -39.22 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.428 ' HA ' ' CD1' ' A' ' 555' ' ' LEU . 3.6 mm -74.65 -27.8 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -74.92 -39.49 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 551' ' ' GLN . 5.5 ppp? -86.14 -5.7 59.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.469 ' CD2' ' HD2' ' A' ' 556' ' ' PRO . 3.5 mt -72.76 153.38 91.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -74.95 173.79 13.89 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -32.84 4.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.546 1.814 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.63 0.03 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.414 ' O ' ' OG ' ' A' ' 562' ' ' SER . 2.1 mt-30 -119.47 -40.54 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 538' ' ' ALA . 1.1 mmm180 -44.8 -56.49 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.1 OUTLIER -76.36 -32.56 58.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 559' ' ' GLN . 19.4 p -44.85 -38.33 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.6 mm -59.84 -40.43 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 561' ' ' GLN . 2.5 tt -64.29 -39.9 94.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.172 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.42 -47.47 91.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -35.19 78.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.492 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 1.4 mmtt -65.72 -36.96 85.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.96 -41.87 99.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -66.86 -40.78 87.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.09 -36.89 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.22 -31.99 73.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.235 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 574' ' ' THR . 38.0 tttt -81.43 57.56 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 575' ' ' GLY . 1.9 t 63.67 -77.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 572' ' ' LYS . 1.4 m 63.53 -77.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 573' ' ' SER . . . 170.21 -118.13 0.74 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -148.68 93.79 4.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.506 ' C ' ' CG2' ' A' ' 531' ' ' THR . 0.0 OUTLIER -86.79 72.57 10.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.571 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.5 OUTLIER 63.07 -173.71 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.06 -16.62 19.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -40.01 75.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.469 ' HB2' ' CB ' ' A' ' 530' ' ' MET . 25.4 t0 -60.35 -37.83 81.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' A' ' 557' ' ' PRO . 93.6 m-70 -80.02 -24.91 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.645 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.83 -4.84 51.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 534' ' ' ASP . 17.4 mmtt -63.86 -22.86 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -70.6 -32.96 70.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -53.79 -36.44 62.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 1.2 tp -67.95 -31.37 71.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.509 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 30.7 mm -88.98 -19.61 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 538' ' ' ALA . 15.7 mtt -56.94 -39.77 75.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -41.59 76.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 48.7 t -64.38 -34.67 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -96.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 2.7 pm0 -104.6 -21.23 13.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 90.92 33.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.517 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 90.1 m -130.35 -48.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 85.19 -12.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -66.22 -42.75 88.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . 0.755 ' H ' ' NE2' ' A' ' 551' ' ' GLN . 2.5 mp0 -61.55 -44.43 97.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.46 ' CB ' ' HG2' ' A' ' 542' ' ' MET . 1.3 mm -74.55 -26.81 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.26 66.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.485 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 2.0 ppp? -81.17 -5.84 58.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 40.8 mt -95.15 151.13 38.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.18 11.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . 0.425 ' O ' ' ND1' ' A' ' 535' ' ' HIS . 18.3 Cg_endo -75.0 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -61.32 -13.45 19.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.1 mt-30 -106.24 -34.04 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.21 -58.94 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -54.08 -29.54 44.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.1 t -51.6 -34.64 38.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 50.1 mm -62.61 -39.47 84.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 561' ' ' GLN . 1.3 tt -60.61 -39.04 86.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 75.9 mt -66.89 -46.71 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -34.29 77.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.509 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 0.1 OUTLIER -60.71 -36.8 79.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.32 -40.69 98.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -67.79 -38.64 83.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 74.0 mt -59.33 -34.87 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -60.58 -31.88 71.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.93 175.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.47 138.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 3.3 t -145.67 134.33 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -78.85 95.47 1.38 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -135.15 156.32 78.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 111.042 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.57 ' HB3' ' CE1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER -37.96 111.73 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.451 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 70.7 p -41.71 164.51 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.06 -17.86 19.07 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.809 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.603 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.47 -38.88 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.603 ' N ' HE21 ' A' ' 533' ' ' GLN . 26.4 t70 -62.02 -44.25 97.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 20.1 m-70 -67.5 -26.42 66.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.57 3.89 26.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 541' ' ' ILE . 25.8 mmtt -64.39 -22.92 67.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.97 -31.13 69.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.486 ' O ' ' CG ' ' A' ' 542' ' ' MET . . . -56.33 -44.5 80.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.508 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 0.6 OUTLIER -68.53 -41.59 79.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 537' ' ' LYS . 2.7 mt -81.37 -4.2 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.601 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -66.86 -33.64 76.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 5.7 mt-30 -63.51 -46.78 84.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 33.6 t -63.5 -32.24 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 545' ' ' LEU . 2.8 mm? -67.29 -99.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.41 -23.76 12.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.505 ' O ' ' CG2' ' A' ' 548' ' ' THR . 4.8 tp 66.64 84.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 547' ' ' LEU . 1.4 p -161.54 -44.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 84.65 -44.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -59.68 -38.83 82.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.67 -38.82 90.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.92 -28.59 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.87 70.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 4.5 mmt -81.84 -3.59 54.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 11.7 mt -94.29 146.14 31.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.51 14.39 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.7 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -68.66 -6.36 25.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.2 mt-30 -114.69 -38.09 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -51.56 -62.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -24.82 56.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -47.35 -37.38 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.2 -41.21 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.474 HD13 ' CG ' ' A' ' 537' ' ' LYS . 1.3 tt -60.48 -34.01 73.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.467 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 4.0 mm -69.81 -46.56 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -33.72 74.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.487 ' CE ' HG22 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -60.87 -48.21 82.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 7.5 pt-20 -67.65 -35.45 78.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -63.3 -38.03 89.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.85 -40.81 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.0 -43.23 96.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.28 70.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.18 154.78 19.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 11.0 t -53.92 -34.67 60.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.417 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 138.25 -151.95 21.69 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . 63.62 68.85 0.85 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.75 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 24.3 m170 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.516 ' C ' ' CG2' ' A' ' 531' ' ' THR . 0.0 OUTLIER -170.39 -172.61 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.589 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.6 OUTLIER 64.74 -172.54 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -16.76 20.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.558 1.82 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 537' ' ' LYS . 0.0 OUTLIER -69.55 -39.87 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -67.01 -41.34 86.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -77.42 -26.35 51.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.632 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 24.7 tt0 -99.07 7.39 45.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 533' ' ' GLN . 5.9 mttt -69.88 -22.26 63.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -64.95 -33.72 76.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.462 ' HA ' ' CB ' ' A' ' 542' ' ' MET . . . -57.21 -36.51 70.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.2 OUTLIER -59.38 -33.28 71.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.48 ' CG2' ' HG2' ' A' ' 567' ' ' LYS . 3.3 mt -97.81 -14.22 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.491 ' CG ' HG13 ' A' ' 552' ' ' ILE . 12.4 tmm? -58.63 -34.37 71.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.5 OUTLIER -62.0 -44.49 96.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.51 -33.38 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 563' ' ' ILE . 0.2 OUTLIER -56.14 -89.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.646 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -108.05 -35.18 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.646 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 2.9 tp 99.46 33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 547' ' ' LEU . 1.6 p -160.75 111.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.469 ' CB ' ' HE3' ' A' ' 542' ' ' MET . . . -63.79 -12.92 39.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.61 -45.78 92.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -68.86 -39.67 79.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.491 HG13 ' CG ' ' A' ' 542' ' ' MET . 2.3 mm -73.45 -25.3 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -59.16 -22.21 60.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 39.2 mtt -69.96 -21.62 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 111.047 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -98.07 146.22 31.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.958 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -66.34 -8.82 27.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.534 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.0 mt-30 -115.47 -39.12 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.474 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 1.2 ttp180 -41.44 -56.86 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -42.32 -33.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 57.0 p -43.4 -39.99 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.473 ' CD1' HD22 ' A' ' 545' ' ' LEU . 0.1 OUTLIER -59.94 -43.19 91.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 1.0 OUTLIER -59.38 -35.59 74.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 24.7 mt -72.19 -44.99 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -44.82 85.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.48 ' HG2' ' CG2' ' A' ' 541' ' ' ILE . 4.1 tptt -68.88 -36.58 78.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 15.3 mm-40 -60.99 -36.04 78.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -62.6 -38.16 89.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 30.8 mt -59.21 -41.88 85.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.12 -39.94 90.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -67.86 145.75 54.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 4.6 t -76.4 81.37 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 39.6 m -76.34 140.19 41.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -48.37 -58.3 7.41 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -115.28 90.81 25.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 0.0 111.023 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.545 ' CE ' ' NE2' ' A' ' 535' ' ' HIS . 0.2 OUTLIER -150.1 136.9 19.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.546 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 30.0 p -43.93 169.94 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.546 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.07 -22.4 14.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.611 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -71.61 -38.73 70.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.611 ' N ' HE21 ' A' ' 533' ' ' GLN . 6.9 t70 -61.56 -37.68 84.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 557' ' ' PRO . 1.3 m-70 -75.01 -34.1 61.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -89.47 11.31 19.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.487 ' CG ' HD11 ' A' ' 564' ' ' LEU . 1.8 tttt -70.71 -23.05 62.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -62.24 -32.41 73.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.444 ' HA ' ' CE ' ' A' ' 542' ' ' MET . . . -56.2 -38.13 70.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.486 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 0.6 OUTLIER -68.92 -31.28 70.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 541' ' ' ILE . 5.6 mt -96.89 7.11 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 539' ' ' ALA . 0.0 OUTLIER -65.61 -44.86 85.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -65.75 -39.19 90.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . 0.436 HG13 ' CE ' ' A' ' 567' ' ' LYS . 7.8 t -65.18 -33.24 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.477 ' CD2' ' OE1' ' A' ' 546' ' ' GLN . 63.3 tp -68.36 -99.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.546 ' CB ' ' NE2' ' A' ' 551' ' ' GLN . 3.2 pm0 -105.64 -34.97 7.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.489 ' N ' ' HG2' ' A' ' 546' ' ' GLN . 0.0 OUTLIER 84.63 74.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.542 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 1.2 m -168.18 -41.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 87.46 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . 0.457 ' HB2' ' CG2' ' A' ' 548' ' ' THR . 0.4 OUTLIER -60.4 -39.38 87.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . 0.546 ' NE2' ' CB ' ' A' ' 546' ' ' GLN . 19.0 mt-30 -69.05 -39.38 79.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.455 ' CG1' HD21 ' A' ' 545' ' ' LEU . 0.9 OUTLIER -74.5 -28.23 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -60.38 -30.39 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.5 -5.94 51.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 3.7 mt -95.25 143.86 26.83 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -75.03 173.57 14.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . 0.603 ' O ' ' CE1' ' A' ' 535' ' ' HIS . 18.4 Cg_endo -75.0 -37.29 2.09 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.511 1.795 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -70.47 -4.78 24.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.5 mt-30 -117.33 -39.79 3.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.58 -56.36 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -57.46 -32.63 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.8 t -45.16 -34.08 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -40.04 86.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 568' ' ' GLU . 0.6 OUTLIER -59.89 -36.61 77.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.466 HD11 ' CD2' ' A' ' 564' ' ' LEU . 22.1 mm -71.66 -44.82 69.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -45.44 85.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.436 ' CE ' HG13 ' A' ' 544' ' ' VAL . 5.6 tptp -69.77 -37.56 76.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.13 -37.73 86.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.58 -38.96 89.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 31.0 mt -63.88 -38.5 82.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.6 -35.53 79.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.86 133.35 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.83 161.33 28.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 18.0 m 61.04 103.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.424 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -145.42 -101.54 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . 62.5 156.23 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.559 1.82 . . . . 0.0 111.036 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 43.5 m170 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.512 ' C ' ' CG2' ' A' ' 531' ' ' THR . 9.0 mtm -66.95 -35.09 79.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.547 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.5 OUTLIER 62.57 -174.92 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.547 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.6 Cg_endo -74.89 -18.93 18.62 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.419 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -67.43 -38.21 84.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.462 ' CB ' ' HB3' ' A' ' 530' ' ' MET . 37.2 t70 -59.19 -38.81 80.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -70.57 -26.77 63.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.49 8.27 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.48 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 7.2 mmmt -70.13 -22.57 62.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -63.59 -32.33 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -55.39 -37.61 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.409 ' HA ' ' NE2' ' A' ' 543' ' ' GLN . 2.3 tp -69.15 -33.13 72.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.49 ' CG2' ' HG2' ' A' ' 567' ' ' LYS . 3.0 mm -83.77 -23.01 8.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.496 ' N ' ' O ' ' A' ' 538' ' ' ALA . 3.4 tmm? -57.02 -35.44 69.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 540' ' ' LEU . 2.9 mt-30 -69.36 -38.17 77.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.9 t -61.97 -33.51 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.84 -103.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' A' ' 547' ' ' LEU . 2.9 pp0? -107.88 -24.29 11.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 547' ' ' LEU . 0.1 OUTLIER 79.28 102.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.539 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 1.2 m -170.85 -43.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 86.56 -35.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -59.35 -37.0 76.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . 0.414 ' NE2' ' HG2' ' A' ' 546' ' ' GLN . 1.1 mt-30 -61.27 -45.31 95.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.467 HG21 ' CG ' ' A' ' 560' ' ' ARG . 1.2 mp -75.84 -30.75 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.91 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 551' ' ' GLN . 2.9 ptm -79.82 -0.5 34.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 4.8 mt -106.54 146.96 34.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 174.63 12.43 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -37.96 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -69.12 -6.8 30.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.6 mt-30 -119.01 -35.45 3.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.467 ' CG ' HG21 ' A' ' 552' ' ' ILE . 0.1 OUTLIER -45.31 -71.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -47.85 -33.95 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.7 OUTLIER -44.14 -35.65 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 564' ' ' LEU . 0.1 OUTLIER -62.04 -43.89 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 537' ' ' LYS . 1.7 tt -59.65 -38.67 82.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 50.8 mt -69.93 -44.18 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -37.98 89.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.49 ' HG2' ' CG2' ' A' ' 541' ' ' ILE . 0.5 OUTLIER -69.24 -40.77 77.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.53 -35.27 77.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . 0.455 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 3.5 mt-30 -62.08 -38.57 89.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 567' ' ' LYS . 16.1 mt -59.54 -41.7 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 567' ' ' LYS . 1.4 mt-30 -61.26 -40.13 92.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -75.27 162.42 28.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.21 117.56 9.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 21.8 m -51.22 144.97 8.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 175.05 -68.28 0.1 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -58.21 159.62 10.91 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 47.3 t60 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.8 119.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.041 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -43.17 167.09 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.55 16.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.587 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.95 -40.06 75.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.587 ' N ' HE21 ' A' ' 533' ' ' GLN . 6.9 t70 -63.09 -37.69 88.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -77.49 -25.86 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.617 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -97.42 8.32 44.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.409 ' CB ' ' CD1' ' A' ' 564' ' ' LEU . 0.1 OUTLIER -69.78 -22.48 63.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.21 -32.29 72.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.481 ' O ' ' CE ' ' A' ' 542' ' ' MET . . . -56.89 -38.48 72.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.411 ' HA ' ' NE2' ' A' ' 543' ' ' GLN . 2.9 tp -69.18 -35.21 76.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.481 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 13.8 mm -84.15 -22.57 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.596 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -58.33 -32.86 68.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.492 ' N ' ' HG2' ' A' ' 542' ' ' MET . 3.5 mt-30 -63.34 -49.72 72.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.1 -34.09 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -86.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.625 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.71 -31.85 9.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.625 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 98.28 14.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.97 128.43 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.515 ' CB ' ' SD ' ' A' ' 542' ' ' MET . . . -80.66 -0.97 40.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.45 -47.15 87.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . 0.43 ' NE2' ' HB2' ' A' ' 546' ' ' GLN . 1.8 mp0 -69.01 -39.4 79.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.462 HG21 ' CD ' ' A' ' 560' ' ' ARG . 8.0 mm -68.07 -32.78 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.2 -32.36 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.08 -2.68 58.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.458 ' CD1' HD12 ' A' ' 552' ' ' ILE . 87.4 mt -95.79 147.38 32.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.71 14.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.556 1.819 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -40.42 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.04 -9.04 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -111.19 -37.39 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.462 ' CD ' HG21 ' A' ' 552' ' ' ILE . 2.9 ttp180 -54.29 -67.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.422 ' NE2' HG13 ' A' ' 565' ' ' ILE . 0.1 OUTLIER -54.14 -18.88 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.9 OUTLIER -56.16 -34.86 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 13.3 mt -62.29 -38.84 82.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.409 ' CD1' ' CB ' ' A' ' 537' ' ' LYS . 2.8 tt -60.53 -37.93 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.422 HG13 ' NE2' ' A' ' 561' ' ' GLN . 85.6 mt -66.71 -47.59 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -35.1 78.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.481 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 2.9 mmtt -61.63 -36.83 81.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.81 -37.74 88.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -64.98 -39.76 93.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . 0.417 HD11 ' NZ ' ' A' ' 567' ' ' LYS . 96.2 mt -59.64 -36.99 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 567' ' ' LYS . 1.4 mp0 -65.84 -38.51 89.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 6.5 mttt 66.16 157.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.53 95.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.036 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' THR . . . . . 0.415 ' O ' ' CG2' ' A' ' 574' ' ' THR . 9.4 t -166.93 72.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.454 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -179.99 -94.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . 0.538 ' N ' ' CD ' ' A' ' 577' ' ' PRO . . . -63.36 -50.03 76.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 576' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 530' ' ' MET . 14.1 m-70 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 529' ' ' HIS . 0.0 OUTLIER -37.55 99.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.82 167.0 0.42 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -9.18 20.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' A' ' 534' ' ' ASP . 3.6 pp0? -70.54 -39.24 74.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.43 ' HA ' ' NE2' ' A' ' 533' ' ' GLN . 11.3 t0 -61.35 -40.91 96.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -74.23 -25.97 59.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.589 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -85.24 4.37 35.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 3.0 mmpt? -63.99 -23.2 67.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -62.44 -34.28 76.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -63.68 -36.97 85.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.452 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 0.0 OUTLIER -68.32 -33.11 73.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.486 HG22 ' CD ' ' A' ' 567' ' ' LYS . 0.5 OUTLIER -89.56 -17.66 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.517 ' N ' ' O ' ' A' ' 538' ' ' ALA . 4.4 mmt -58.22 -35.48 71.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.502 ' HA ' ' CB ' ' A' ' 547' ' ' LEU . 1.3 mt-30 -66.5 -38.28 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 36.3 t -62.01 -32.76 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.451 ' CD2' ' HD3' ' A' ' 567' ' ' LYS . 4.5 mm? -78.52 -98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.614 ' NE2' ' N ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -106.55 -30.6 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.614 ' N ' ' NE2' ' A' ' 546' ' ' GLN . 0.0 OUTLIER 78.85 92.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.596 ' N ' HE22 ' A' ' 546' ' ' GLN . 17.4 m -160.98 -44.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 87.36 -34.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.19 -36.81 76.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -45.16 95.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.488 ' CD1' ' CE ' ' A' ' 542' ' ' MET . 0.5 OUTLIER -75.18 -33.04 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.18 -22.44 60.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 3.1 mmm -84.25 -5.41 59.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 20.4 mt -106.82 155.2 39.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.58 12.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.91 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.13 -9.48 31.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.6 mt-30 -116.44 -35.99 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.4 ' CG ' HG21 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -42.13 -60.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -31.65 67.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.9 t -46.58 -35.51 5.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 538' ' ' ALA . 1.8 tp -62.38 -43.88 98.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 537' ' ' LYS . 1.4 tt -58.95 -39.49 81.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.451 ' O ' ' HG3' ' A' ' 568' ' ' GLU . 85.9 mt -65.03 -45.39 94.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -38.41 79.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.486 ' CD ' HG22 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -69.88 -48.55 58.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -65.06 -33.26 75.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . 0.519 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 6.8 mt-30 -61.59 -38.23 86.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 11.1 mt -59.07 -36.42 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -60.38 -42.87 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 10.1 mttt 63.26 107.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 3.3 t -148.23 -57.92 0.23 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 20.3 m 62.73 70.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.391 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -95.56 -59.46 1.08 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -120.19 159.09 48.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.556 ' CG ' ' O ' ' A' ' 530' ' ' MET . 1.5 ttp -97.01 64.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.552 ' CG2' ' C ' ' A' ' 530' ' ' MET . 0.8 OUTLIER 68.61 178.2 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.01 -18.94 18.29 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.474 1.776 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -39.59 79.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 530' ' ' MET . 24.4 t0 -61.69 -49.71 75.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.448 ' CE1' ' HA ' ' A' ' 558' ' ' GLU . 95.2 m-70 -67.81 -25.67 65.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -78.28 0.44 25.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 0.2 OUTLIER -64.1 -22.82 67.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -69.35 -27.88 65.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -50.77 -37.28 41.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.459 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 1.5 tp -61.86 -32.58 72.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.502 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 3.1 mm -95.55 -15.15 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 546' ' ' GLN . 28.8 ttm -58.3 -32.27 68.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.3 OUTLIER -61.59 -42.96 99.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.37 -42.5 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.41 19.47 8.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -84.72 -6.98 59.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 5.3 tt -39.59 -29.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.539 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 0.7 OUTLIER -135.19 -49.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.408 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 87.03 -32.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -59.67 -37.79 79.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . 0.437 ' NE2' ' HB ' ' A' ' 548' ' ' THR . 0.0 OUTLIER -62.75 -45.32 93.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 3.0 mm -74.5 -41.56 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.4 -22.27 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.4 mmm -80.6 -9.69 59.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 551' ' ' GLN . 16.3 mt -103.9 147.5 34.38 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -74.92 175.39 11.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 556' ' ' PRO . 18.3 Cg_endo -75.03 -38.6 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . 0.448 ' HA ' ' CE1' ' A' ' 535' ' ' HIS . 25.9 tt0 -69.0 -6.0 25.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.4 mt-30 -116.99 -35.84 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.85 -56.25 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.5 OUTLIER -47.81 -34.47 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 4.9 t -45.89 -33.58 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 10.8 mm -61.54 -39.19 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 568' ' ' GLU . 1.4 tt -60.68 -34.55 74.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.482 HD11 ' CD2' ' A' ' 564' ' ' LEU . 18.7 mm -71.93 -45.56 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -45.47 83.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.502 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 0.1 OUTLIER -69.34 -35.94 76.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 2.6 tt0 -60.66 -35.59 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -65.09 -37.88 88.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 567' ' ' LYS . 32.4 mt -58.78 -35.91 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -61.86 -32.6 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -76.7 122.42 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.82 108.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 4.4 m -57.69 120.51 8.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 178.13 143.24 5.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -118.23 87.02 28.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.58 ' O ' ' OG1' ' A' ' 531' ' ' THR . 1.0 OUTLIER -95.08 64.18 2.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.58 ' OG1' ' O ' ' A' ' 530' ' ' MET . 1.5 p 72.11 179.5 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -36.55 2.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -55.67 -37.29 68.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' A' ' 530' ' ' MET . 12.3 t0 -58.74 -45.55 89.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 561' ' ' GLN . 56.1 m-70 -78.01 -25.85 48.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.636 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.8 -0.89 55.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.468 ' CB ' HD11 ' A' ' 564' ' ' LEU . 0.7 OUTLIER -68.21 -23.1 64.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -71.78 -30.5 65.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -53.78 -40.97 66.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.457 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 1.5 tp -67.61 -34.16 76.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.491 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 6.3 mm -92.28 6.35 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.473 ' HE2' ' CB ' ' A' ' 549' ' ' ALA . 2.7 ttp -65.92 -45.02 83.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -68.11 -39.27 82.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 31.2 t -68.05 -33.69 62.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.404 HD22 ' CG2' ' A' ' 563' ' ' ILE . 0.1 OUTLIER -55.4 -96.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.548 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.32 -15.89 15.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.548 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER 91.69 29.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.401 ' OG1' ' C ' ' A' ' 547' ' ' LEU . 2.4 m -153.47 139.7 18.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 553' ' ' ALA . . . -90.11 -20.24 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.88 -38.61 86.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -68.68 -45.62 71.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.471 ' CG2' ' SD ' ' A' ' 542' ' ' MET . 0.2 OUTLIER -74.58 -30.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 549' ' ' ALA . . . -61.11 -23.43 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.88 -0.84 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 40.3 mt -99.17 150.13 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.59 12.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -43.56 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.781 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.1 -13.03 22.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -104.67 -37.92 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.29 -62.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.435 ' CG ' ' OD1' ' A' ' 534' ' ' ASP . 0.4 OUTLIER -50.79 -28.71 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.249 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.3 OUTLIER -50.62 -32.53 19.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.436 ' CD1' HD12 ' A' ' 552' ' ' ILE . 19.6 mt -65.15 -38.5 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 537' ' ' LYS . 1.1 tt -61.43 -38.72 88.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 24.6 mt -64.9 -47.96 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -35.61 78.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.172 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.491 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 4.5 mmtt -62.02 -41.03 97.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -63.47 -36.5 83.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -64.92 -38.99 92.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 20.9 mt -59.72 -38.86 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -33.46 76.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.5 mttt 59.43 96.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.97 97.31 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 5.4 t -56.54 144.03 33.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 576' ' ' ALA . . . -165.15 -97.87 0.12 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 575' ' ' GLY . . . 40.49 70.24 1.6 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . 0.513 ' CG ' ' O ' ' A' ' 529' ' ' HIS . 8.3 t60 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -37.62 112.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.44 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 68.3 p -41.42 164.01 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.44 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -74.99 -19.68 17.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.609 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.57 -39.19 74.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.609 ' N ' HE21 ' A' ' 533' ' ' GLN . 9.7 t0 -62.86 -48.9 77.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.485 ' C ' ' ND1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER -67.08 -25.48 66.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -76.93 -0.86 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.447 ' CB ' HD13 ' A' ' 564' ' ' LEU . 3.1 mmpt? -63.63 -22.58 66.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.71 -32.39 72.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 542' ' ' MET . . . -57.0 -38.03 72.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.422 ' HA ' ' NE2' ' A' ' 543' ' ' GLN . 2.1 tp -68.87 -39.16 79.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.492 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 10.1 mm -80.98 -21.91 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.596 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -58.4 -33.29 69.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.492 ' N ' ' HG2' ' A' ' 542' ' ' MET . 3.5 mt-30 -68.37 -48.22 65.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 17.9 t -71.44 -33.95 51.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.453 ' CD2' ' CD ' ' A' ' 546' ' ' GLN . 6.1 tp -54.46 -87.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.46 -30.29 10.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.562 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 2.3 tt 93.33 24.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 3.0 p -144.73 104.4 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.51 ' CB ' ' SD ' ' A' ' 542' ' ' MET . . . -62.83 -15.89 56.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.45 -42.41 87.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -65.44 -45.48 83.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.487 ' CG2' ' HD2' ' A' ' 560' ' ' ARG . 0.6 OUTLIER -74.8 -26.16 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -60.6 -22.47 63.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.91 -10.88 59.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.74 140.03 67.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 174.68 12.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . 0.6 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.02 128.86 11.8 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 0.7 OUTLIER 95.9 -22.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.81 -30.66 24.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.487 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 5.5 mtm180 -60.52 -58.2 9.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -38.86 -29.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 560' ' ' ARG . 7.8 t -44.57 -36.79 3.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.419 ' CG2' ' HB ' ' A' ' 541' ' ' ILE . 4.1 mm -61.83 -40.33 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 561' ' ' GLN . 2.5 tt -62.96 -38.89 92.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 19.2 mm -65.16 -46.85 89.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.72 -35.01 79.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.492 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 0.1 OUTLIER -61.5 -36.81 81.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.08 -36.39 81.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -40.52 87.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . 0.468 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 62.6 mt -59.54 -37.84 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -65.9 -36.52 83.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 4.5 mttm 64.06 76.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 4.2 t -165.45 85.52 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 18.3 m 47.56 94.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -80.44 153.21 34.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -122.08 155.45 61.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.576 1.829 . . . . 0.0 111.058 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 1.1 mmt -59.04 165.52 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.608 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.6 OUTLIER -90.8 -171.63 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.608 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -74.98 -16.33 20.31 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 111.025 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.42 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.5 OUTLIER -70.37 -45.72 65.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 537' ' ' LYS . 19.6 t70 -65.07 -37.64 88.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -78.59 -25.97 45.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.609 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 28.9 tt0 -96.36 9.12 42.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.47 ' CB ' HD13 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -69.62 -22.77 63.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.12 -31.71 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -56.38 -36.7 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.401 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.8 OUTLIER -70.19 -33.24 71.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.472 HG12 ' CD ' ' A' ' 567' ' ' LYS . 3.4 mt -93.63 -0.17 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.509 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -65.56 -44.49 86.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 539' ' ' ALA . 0.1 OUTLIER -70.33 -37.97 74.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 44.1 t -63.0 -32.81 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -81.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.223 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.673 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.9 OUTLIER -105.27 -36.87 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.673 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 14.8 tp 103.35 15.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 55.2 m -129.74 -40.42 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 84.47 -8.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . 0.432 ' HB2' ' CG2' ' A' ' 548' ' ' THR . 2.1 t0 -60.27 -40.7 91.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . 0.41 ' CD ' ' H ' ' A' ' 551' ' ' GLN . 4.0 mp0 -69.36 -45.14 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 2.8 mm -68.36 -27.12 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.67 -22.97 64.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.4 mmm -91.48 -1.28 57.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 11.4 mt -92.43 146.74 33.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.13 13.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.32 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -67.31 -8.14 29.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.2 mt-30 -114.73 -36.99 4.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.36 -58.8 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.5 OUTLIER -56.7 -29.98 63.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.0 OUTLIER -47.96 -29.23 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 541' ' ' ILE . 0.1 OUTLIER -67.29 -37.45 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -59.99 -34.93 74.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 82.4 mt -72.36 -44.41 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -44.79 90.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.472 ' CD ' HG12 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -68.42 -39.03 81.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.41 -36.01 79.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -65.94 -38.26 88.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 567' ' ' LYS . 23.7 mt -59.13 -40.9 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.97 -32.39 73.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -72.57 117.28 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 47.1 t -146.57 -52.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 6.0 m -131.61 93.28 3.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 85.33 -138.14 16.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -136.19 154.53 77.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.034 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 58.7 m170 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.22 125.84 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.87 175.65 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -15.17 21.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.6 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -68.93 -42.0 77.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.6 ' N ' HE21 ' A' ' 533' ' ' GLN . 10.1 t70 -69.26 -37.77 78.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -26.38 66.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.571 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -84.38 7.35 19.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.498 ' O ' ' CD2' ' A' ' 540' ' ' LEU . 28.6 mmtt -66.47 -23.03 66.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -67.7 -33.66 75.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -58.52 -36.33 73.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 537' ' ' LYS . 0.4 OUTLIER -65.96 -33.47 75.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.455 HG12 ' CD ' ' A' ' 567' ' ' LYS . 5.2 mt -91.45 -17.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 538' ' ' ALA . 6.7 tmm? -58.95 -35.55 73.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 1.4 mt-30 -63.85 -48.9 74.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.34 -33.65 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.455 ' CD2' ' CD ' ' A' ' 546' ' ' GLN . 6.3 tp -55.27 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.605 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.77 -31.37 9.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.605 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 1.4 tp 96.4 32.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 3.0 p -155.4 132.58 10.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.466 ' CB ' ' HE3' ' A' ' 542' ' ' MET . . . -82.53 -24.1 34.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -60.96 -39.43 89.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.14 -44.29 84.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.479 HG13 ' CG ' ' A' ' 542' ' ' MET . 0.4 OUTLIER -73.97 -29.14 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -61.25 -22.7 65.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -83.24 -5.96 59.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 552' ' ' ILE . 87.9 mt -78.37 142.43 62.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 174.53 12.63 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . 0.6 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.4 Cg_endo -74.98 128.8 11.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 1.2 tt0 94.22 -17.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.0 OUTLIER -88.07 -30.73 19.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.433 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 14.8 mtm180 -61.57 -62.06 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -22.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -51.71 -33.08 32.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.464 ' CG2' ' HA ' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -63.81 -39.97 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.46 -34.15 72.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 44.3 mt -72.18 -45.8 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -34.78 78.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.455 ' CD ' HG12 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -61.17 -41.05 96.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.87 -34.09 75.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . 0.503 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 78.6 mt-30 -65.17 -38.96 92.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.7 -37.85 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.83 -43.38 93.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt 41.19 54.34 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 1.4 t -148.47 114.07 5.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 3.0 m 60.87 105.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -94.46 88.88 1.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -42.28 124.34 2.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 530' ' ' MET . 21.2 m-70 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 529' ' ' HIS . 0.0 OUTLIER -37.19 112.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 111.021 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.513 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 51.4 p -43.3 167.37 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.446 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.513 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.05 -13.22 21.37 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.463 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.1 OUTLIER -71.25 -40.09 71.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 537' ' ' LYS . 17.5 t0 -65.63 -37.72 87.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -68.02 -26.31 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.564 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.34 9.35 18.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 534' ' ' ASP . 0.4 OUTLIER -68.83 -23.1 64.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -63.88 -30.83 71.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.553 ' HA ' ' CG ' ' A' ' 542' ' ' MET . . . -54.71 -33.89 61.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.549 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 0.5 OUTLIER -65.6 -28.29 69.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.575 ' CG2' ' O ' ' A' ' 541' ' ' ILE . 8.0 mt -111.75 8.05 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.553 ' CG ' ' HA ' ' A' ' 539' ' ' ALA . 6.1 mtt -66.95 -32.71 74.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -60.67 -41.08 94.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.7 -43.24 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.498 ' CD2' ' CD1' ' A' ' 552' ' ' ILE . 0.1 OUTLIER -95.74 24.05 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 109.348 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -92.44 -6.3 50.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER -37.98 -31.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.526 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 23.6 m -133.35 -51.92 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 85.78 -21.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 554' ' ' MET . 6.6 t0 -66.48 -37.97 86.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . 0.428 ' NE2' ' HB ' ' A' ' 548' ' ' THR . 0.0 OUTLIER -68.13 -45.66 73.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.498 ' CD1' ' CD2' ' A' ' 545' ' ' LEU . 9.4 mm -72.75 -41.92 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 549' ' ' ALA . . . -63.47 -39.02 93.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 550' ' ' ASP . 2.2 mmt -79.28 -8.55 59.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 5.8 mt -81.27 148.87 64.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.4 Cg_endo -75.02 173.53 14.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.26 4.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.75 0.79 16.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 562' ' ' SER . 0.6 OUTLIER -121.17 -37.6 2.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.55 ' NH1' ' CE ' ' A' ' 542' ' ' MET . 0.6 OUTLIER -38.73 -55.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 564' ' ' LEU . 1.0 OUTLIER -61.62 -34.09 75.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 559' ' ' GLN . 1.5 t -45.15 -32.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.465 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.5 tp -61.95 -40.66 88.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.493 ' CD1' ' HB3' ' A' ' 537' ' ' LYS . 0.9 OUTLIER -58.4 -36.6 73.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 74.1 mt -72.23 -45.32 62.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.47 -45.16 84.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 541' ' ' ILE . 0.2 OUTLIER -68.92 -37.56 79.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 1.3 tt0 -62.34 -36.27 81.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -61.51 -40.39 94.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . 0.451 ' CD1' ' HE3' ' A' ' 567' ' ' LYS . 11.2 mt -60.11 -41.13 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 572' ' ' LYS . 1.4 mp0 -63.9 -43.23 96.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 571' ' ' GLN . 5.2 pttt 45.17 -163.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 8.6 t 43.56 83.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 10.1 t -115.61 124.39 50.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -72.53 135.8 22.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . 41.68 84.61 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.517 1.798 . . . . 0.0 111.005 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.422 ' SD ' ' HB2' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -37.78 118.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.539 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 33.1 p -43.79 169.01 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.09 -13.15 21.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.592 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -71.17 -39.21 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.592 ' N ' HE21 ' A' ' 533' ' ' GLN . 15.6 t70 -69.32 -39.11 78.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -27.13 66.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.641 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -84.26 6.86 21.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.448 ' CB ' HD13 ' A' ' 564' ' ' LEU . 39.5 mmtt -65.61 -23.42 66.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.595 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -69.18 -33.61 73.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.451 ' HA ' ' HB3' ' A' ' 542' ' ' MET . . . -59.66 -37.62 79.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.3 OUTLIER -69.09 -35.54 76.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.463 HG23 ' CG2' ' A' ' 563' ' ' ILE . 3.5 mt -86.49 -19.81 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.595 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -59.95 -33.64 72.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.482 ' N ' ' HG2' ' A' ' 542' ' ' MET . 2.7 mt-30 -63.71 -48.04 78.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.0 t -69.76 -33.93 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -90.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.599 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.75 -26.48 12.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.359 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.599 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.4 OUTLIER 95.76 13.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.12 127.05 15.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 553' ' ' ALA . . . -79.87 1.75 25.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -66.47 -48.52 69.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 546' ' ' GLN . 1.6 mp0 -69.81 -40.69 75.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.1 mm -71.82 -29.86 35.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 549' ' ' ALA . . . -61.96 -28.47 69.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.72 -6.12 56.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.28 150.22 42.68 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.4 Cg_endo -74.96 172.28 16.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -35.36 3.16 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -72.54 -3.0 21.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.7 OUTLIER -117.08 -36.87 3.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 556' ' ' PRO . 1.2 mtm180 -45.01 -57.21 3.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -60.95 -27.75 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 2.4 t -44.69 -34.91 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.463 ' CG2' HG23 ' A' ' 541' ' ' ILE . 1.4 mm -62.04 -41.52 91.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 561' ' ' GLN . 3.7 tt -61.45 -39.32 90.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 69.6 mt -64.56 -49.01 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -35.01 76.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 567' ' ' LYS . 0.0 OUTLIER -62.04 -36.49 81.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.49 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.78 -33.86 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . 0.49 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 51.3 mt-30 -60.58 -39.35 87.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 58.1 mt -61.65 -41.25 89.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.99 -42.42 94.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 73.9 68.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.78 172.58 18.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 8.9 t -81.7 162.61 22.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -148.69 -165.56 12.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -57.77 160.77 7.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.953 -179.961 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 14.3 p80 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.34 121.53 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 531' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.88 169.96 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.05 16.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.506 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.82 -40.48 75.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.506 ' N ' HE21 ' A' ' 533' ' ' GLN . 0.5 OUTLIER -66.17 -37.96 86.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 558' ' ' GLU . 3.8 m-70 -67.66 -25.52 65.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -81.18 5.94 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 564' ' ' LEU . 29.2 mttt -64.93 -23.42 67.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -64.51 -28.89 69.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -52.13 -33.29 39.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.7 OUTLIER -67.45 -30.35 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.509 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 2.0 mt -108.43 11.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.537 ' HB2' ' O ' ' A' ' 539' ' ' ALA . 0.0 OUTLIER -66.92 -43.08 84.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.79 91.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.15 -42.64 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.39 22.92 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 548' ' ' THR . 0.0 OUTLIER -93.6 -5.28 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 546' ' ' GLN . 0.7 OUTLIER -36.21 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.526 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 1.1 m -133.4 -51.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 86.44 -28.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 554' ' ' MET . 1.2 t70 -60.42 -38.88 85.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . 0.53 ' O ' ' CD2' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -67.01 -46.25 75.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 560' ' ' ARG . 27.7 mm -69.85 -42.82 80.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.66 -21.45 62.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.413 ' CB ' ' O ' ' A' ' 550' ' ' ASP . 4.5 ttm -71.55 -23.13 61.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 551' ' ' GLN . 0.1 OUTLIER -99.3 159.3 30.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.46 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.1 Cg_endo -75.04 174.79 12.19 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.15 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 535' ' ' HIS . 3.3 tt0 -72.15 -2.15 17.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.46 ' HB2' ' HD2' ' A' ' 556' ' ' PRO . 1.1 mt-30 -117.55 -35.12 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.479 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 1.7 mtm180 -37.88 -50.55 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.1 OUTLIER -39.71 -26.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 560' ' ' ARG . 2.9 m -45.35 -35.22 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.26 -36.62 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 561' ' ' GLN . 2.8 tt -67.74 -39.47 84.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 16.3 mm -64.07 -46.89 92.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -34.74 78.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.509 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 0.2 OUTLIER -61.46 -41.15 96.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.81 -44.93 94.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -63.83 -39.14 93.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 57.3 mt -59.98 -40.62 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -41.83 97.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt 64.41 71.33 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 22.5 t -109.58 167.8 9.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 5.0 t -88.24 43.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -126.16 154.65 18.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.444 1.09 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . 72.88 158.65 0.17 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 -179.999 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -38.7 118.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 530' ' ' MET . 0.3 OUTLIER -44.44 169.17 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.398 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.96 19.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.449 1.763 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.464 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.03 -39.99 75.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.464 ' N ' HE21 ' A' ' 533' ' ' GLN . 19.3 t70 -66.09 -39.61 90.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.0 -25.75 66.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -84.62 8.14 17.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -21.6 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -65.63 -33.07 75.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.17 -35.18 66.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.497 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.4 OUTLIER -61.65 -32.85 73.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.485 HG12 ' CG ' ' A' ' 567' ' ' LYS . 1.4 mp -96.91 -13.67 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.477 ' HB3' ' O ' ' A' ' 539' ' ' ALA . 3.0 tmm? -58.2 -40.68 82.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 539' ' ' ALA . 0.2 OUTLIER -69.81 -37.71 76.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.35 -33.96 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.4 HD21 ' N ' ' A' ' 545' ' ' LEU . 2.6 mm? -71.94 -100.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.444 ' HG3' ' NE2' ' A' ' 551' ' ' GLN . 2.8 pm0 -105.96 -29.57 9.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.423 ' HB3' ' O ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER 72.7 96.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.547 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 52.7 m -159.05 -42.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.379 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 87.24 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -59.96 -38.07 81.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 554' ' ' MET . 1.2 mt-30 -63.49 -40.89 98.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.13 -27.97 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.41 90.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.461 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 10.4 ptm -76.77 -11.06 59.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.14 143.21 42.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.4 Cg_endo -75.02 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.43 3.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.66 -1.52 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.8 mt-30 -120.82 -38.02 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -47.08 -56.18 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -62.87 -23.93 67.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.1 t -46.53 -34.41 4.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' A' ' 567' ' ' LYS . 49.0 mm -63.08 -36.0 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 561' ' ' GLN . 3.4 tt -61.78 -39.35 91.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 19.9 mt -68.66 -49.33 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -28.6 66.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' A' ' 563' ' ' ILE . 0.9 OUTLIER -55.58 -41.53 73.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -62.58 -38.13 88.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -66.37 -39.04 88.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 72.0 mt -65.12 -41.65 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -43.31 89.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 7.6 mttp 66.34 82.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 7.6 t -134.27 -59.91 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 4.3 t -123.09 149.26 44.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 576' ' ' ALA . . . -109.71 151.05 17.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . 0.486 ' N ' ' CD ' ' A' ' 577' ' ' PRO . . . 166.15 -53.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 576' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 3.6 mmt 59.88 165.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.587 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.6 OUTLIER -92.28 -172.56 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.04 -18.32 18.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.563 1.823 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.591 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.23 -39.14 75.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.591 ' N ' HE21 ' A' ' 533' ' ' GLN . 5.5 t70 -60.93 -47.18 87.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 532' ' ' PRO . 0.0 OUTLIER -77.04 -38.25 53.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.579 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 30.2 tt0 -80.71 2.72 24.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 533' ' ' GLN . 0.6 OUTLIER -67.26 -22.29 65.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -67.36 -32.09 72.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 542' ' ' MET . . . -56.69 -39.73 74.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.476 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 0.6 OUTLIER -69.12 -33.57 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.492 ' CG1' ' HG3' ' A' ' 567' ' ' LYS . 4.6 mt -86.17 -20.73 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.621 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -56.99 -32.14 65.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.5 ' N ' ' HG2' ' A' ' 542' ' ' MET . 2.4 mt-30 -63.45 -47.29 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.252 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.8 -32.28 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.503 ' CD2' ' OE1' ' A' ' 546' ' ' GLN . 8.3 tp -57.96 -91.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.646 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 3.0 pm0 -105.56 -19.9 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.646 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 7.9 tp 100.33 -62.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.446 ' O ' ' NE2' ' A' ' 546' ' ' GLN . 2.1 p -58.57 106.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.482 ' CB ' ' SD ' ' A' ' 542' ' ' MET . . . -60.69 -28.05 68.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -37.98 80.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . 0.496 ' O ' ' CG ' ' A' ' 554' ' ' MET . 8.6 mt-30 -61.74 -45.28 94.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.495 ' HA ' ' CD1' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -75.09 -34.04 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.82 -22.84 64.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 0.0 OUTLIER -81.95 -6.46 59.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.576 ' HB3' ' NH2' ' A' ' 560' ' ' ARG . 6.7 mt -92.61 157.96 39.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.84 32.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.67 2.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.74 -11.94 30.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.9 mt-30 -104.47 -38.31 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.635 ' HA ' ' CZ ' ' A' ' 560' ' ' ARG . 0.0 OUTLIER -48.31 -65.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.67 -23.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.7 OUTLIER -63.21 -38.19 90.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.96 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.69 -37.37 77.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.428 HD13 ' CB ' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -62.84 -38.9 92.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 82.4 mt -65.75 -47.28 86.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -33.43 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.492 ' HG3' ' CG1' ' A' ' 541' ' ' ILE . 1.6 mmtt -61.44 -48.79 79.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 8.3 pt-20 -65.52 -35.04 79.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . 0.421 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.8 OUTLIER -62.3 -37.27 84.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.35 -35.47 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -60.41 -43.04 97.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 17.2 mttt 67.05 92.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.72 118.51 27.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 22.6 m -144.08 86.12 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 100.56 -133.14 11.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -132.97 157.3 78.71 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 111.023 179.987 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . 0.415 ' CG ' ' O ' ' A' ' 529' ' ' HIS . 8.2 p-80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -37.25 114.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.513 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 44.1 p -43.75 167.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.513 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -74.99 -14.08 21.26 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.466 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.2 OUTLIER -71.21 -40.35 71.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.402 ' OD1' ' OE1' ' A' ' 561' ' ' GLN . 10.7 t70 -66.67 -37.95 85.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -67.38 -25.93 66.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.84 5.53 21.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -65.54 -23.51 66.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 560' ' ' ARG . . . -69.63 -33.03 72.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -56.8 -36.81 70.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.502 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.3 OUTLIER -58.03 -34.4 70.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.46 HG12 ' CD ' ' A' ' 567' ' ' LYS . 3.7 mt -93.88 -26.56 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.478 ' HG2' ' CG1' ' A' ' 552' ' ' ILE . 1.3 tpt -57.42 -31.57 66.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 540' ' ' LEU . 6.3 mt-30 -60.09 -37.73 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.42 -32.37 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.9 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 3.3 pm0 -105.79 -34.92 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.554 ' O ' ' CG2' ' A' ' 548' ' ' THR . 0.0 OUTLIER 86.63 92.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.554 ' CG2' ' O ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -178.43 107.56 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.16 -23.44 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.57 -38.76 85.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . 0.468 ' HG3' ' CB ' ' A' ' 548' ' ' THR . 1.1 mt-30 -65.44 -39.87 92.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.478 ' CG1' ' HG2' ' A' ' 542' ' ' MET . 1.7 mm -74.73 -25.79 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.69 72.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.401 ' CE ' HD22 ' A' ' 555' ' ' LEU . 0.7 OUTLIER -80.35 -7.45 59.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.401 HD22 ' CE ' ' A' ' 554' ' ' MET . 12.1 mt -75.99 143.95 75.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.44 12.78 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . 0.578 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.01 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . 0.578 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 0.1 OUTLIER 92.19 -14.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.466 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.6 OUTLIER -91.49 -30.57 16.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 538' ' ' ALA . 10.8 mtm105 -60.44 -64.9 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.402 ' OE1' ' OD1' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -58.58 -14.88 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.3 t -47.93 -36.78 12.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.435 ' HB ' ' CB ' ' A' ' 538' ' ' ALA . 1.5 mt -61.42 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.1 -33.52 73.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 12.4 mm -71.27 -46.77 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -34.76 78.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.46 ' CD ' HG12 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -61.42 -36.22 79.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.1 OUTLIER -61.1 -35.38 76.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.9 OUTLIER -66.57 -38.66 87.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.45 -34.7 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -64.41 -40.56 96.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 62.66 65.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.05 -60.57 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 9.2 t -129.87 156.96 43.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -86.93 91.41 1.73 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . 0.542 ' N ' ' CD ' ' A' ' 577' ' ' PRO . . . -69.65 -50.04 19.57 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 576' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.563 ' HB3' ' CE1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER -37.69 108.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.971 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.43 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 72.8 p -41.95 164.32 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.05 -16.61 20.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.6 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.74 -39.51 73.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.6 ' N ' HE21 ' A' ' 533' ' ' GLN . 24.7 t70 -63.75 -46.17 86.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.604 ' CE1' ' CG ' ' A' ' 558' ' ' GLU . 6.5 m-70 -71.31 -25.81 62.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.548 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -81.76 2.93 27.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.483 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 4.0 mtpt -63.48 -22.87 67.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -66.58 -30.47 70.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.52 ' HA ' ' CG ' ' A' ' 542' ' ' MET . . . -54.39 -32.91 58.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.495 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 1.5 tp -67.4 -31.26 71.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.549 ' CG2' ' O ' ' A' ' 541' ' ' ILE . 3.0 mt -105.79 5.39 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 538' ' ' ALA . 13.0 mtp -66.51 -32.44 73.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 1.5 mp0 -61.52 -40.26 94.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.07 -42.92 76.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.465 HD21 ' CD1' ' A' ' 552' ' ' ILE . 0.0 OUTLIER -95.28 21.63 7.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -87.33 -10.13 53.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 546' ' ' GLN . 1.8 tm? -39.92 -29.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.536 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 25.0 m -129.31 -53.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.363 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 87.49 -33.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 554' ' ' MET . 2.8 t0 -59.57 -38.03 80.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . 0.437 ' OE1' ' CD2' ' A' ' 545' ' ' LEU . 1.8 pt20 -61.74 -45.25 94.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.465 ' CD1' HD21 ' A' ' 545' ' ' LEU . 21.1 mm -74.94 -41.27 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -63.98 -22.63 67.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.465 ' CG ' ' O ' ' A' ' 550' ' ' ASP . 1.7 mmt -87.71 -5.15 58.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 45.2 mt -83.67 140.55 41.08 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -75.02 175.26 11.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.424 1.749 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.0 127.52 10.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.79 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . 0.604 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 0.7 OUTLIER 93.66 -15.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.32 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.3 OUTLIER -91.96 -30.46 16.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -50.1 -58.47 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 564' ' ' LEU . 24.9 tt0 -39.4 -35.23 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 6.0 t -43.83 -34.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.7 tp -62.15 -41.63 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 561' ' ' GLN . 0.7 OUTLIER -58.46 -39.37 79.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 14.2 mt -66.72 -45.57 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.16 -44.35 84.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 570' ' ' ILE . 0.0 OUTLIER -68.96 -36.69 78.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.41 -40.67 97.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.22 -39.11 91.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 567' ' ' LYS . 14.9 mt -59.87 -38.26 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -62.02 -37.35 84.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.0 mttt 59.57 165.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 4.9 t -44.2 -61.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 87.7 m -86.85 127.49 35.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 168.12 -104.17 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . 60.81 159.5 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.477 1.777 . . . . 0.0 110.983 -179.99 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 38.7 t60 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.474 ' CG ' ' HB3' ' A' ' 534' ' ' ASP . 12.8 ttp -64.99 113.2 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.478 ' HB ' ' NE2' ' A' ' 533' ' ' GLN . 28.7 p -48.4 166.33 0.22 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -74.99 -15.65 20.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.478 ' NE2' ' HB ' ' A' ' 531' ' ' THR . 0.5 OUTLIER -70.15 -40.05 74.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.474 ' HB3' ' CG ' ' A' ' 530' ' ' MET . 54.7 t0 -60.38 -36.96 79.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 535' ' ' HIS . 2.0 m170 -67.1 -27.49 67.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -77.69 1.07 21.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.475 ' CB ' HD11 ' A' ' 564' ' ' LEU . 33.9 mmtt -65.7 -22.79 66.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.549 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -69.82 -32.92 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -56.14 -35.01 66.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.467 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.5 OUTLIER -66.71 -31.35 71.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.481 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 2.8 mt -96.33 -12.84 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.549 ' N ' ' O ' ' A' ' 538' ' ' ALA . 30.6 mmm -57.88 -35.36 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.485 ' HA ' ' CB ' ' A' ' 547' ' ' LEU . 0.1 OUTLIER -63.35 -39.09 93.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 36.3 t -63.17 -32.17 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -78.52 -96.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.604 ' NE2' ' N ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -106.41 -34.68 7.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.604 ' N ' ' NE2' ' A' ' 546' ' ' GLN . 0.2 OUTLIER 80.85 94.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.518 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 6.5 m -163.97 -53.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 85.44 -40.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -59.25 -36.67 75.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . 0.456 ' NE2' ' HG2' ' A' ' 546' ' ' GLN . 4.8 mt-30 -61.31 -37.32 82.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.497 HG13 ' CG ' ' A' ' 542' ' ' MET . 1.1 mm -63.34 -27.73 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.15 -22.52 61.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.1 mmt -91.07 2.1 56.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 16.0 mt -112.39 149.82 41.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -43.0 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.806 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -62.59 -12.78 25.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.4 mt-30 -109.32 -33.19 6.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.485 ' CD ' HG21 ' A' ' 552' ' ' ILE . 1.9 ttp180 -55.53 -70.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.506 ' OE1' ' CD2' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -53.34 -19.52 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.1 t -50.8 -35.73 33.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 8.1 mt -61.86 -37.6 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.506 ' CD2' ' OE1' ' A' ' 561' ' ' GLN . 6.2 tt -68.12 -40.52 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 37.6 mt -62.65 -48.79 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.86 -34.84 77.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.481 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 4.9 mmtt -62.38 -37.67 86.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.95 -38.89 92.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -67.07 -39.34 86.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.33 -39.61 81.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.76 -43.17 89.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.1 mttt 65.06 168.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 3.2 t -43.12 126.21 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 15.4 t -166.16 143.28 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -41.86 124.25 3.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -114.68 159.26 37.85 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.494 1.787 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -39.74 118.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 530' ' ' MET . 0.0 OUTLIER -46.26 172.64 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -13.26 21.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.412 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 1.0 OUTLIER -69.65 -40.23 76.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.98 -37.59 86.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -72.73 -28.26 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -83.0 5.0 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.474 ' CB ' HD11 ' A' ' 564' ' ' LEU . 5.4 mmtp -63.99 -23.33 67.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -65.95 -34.43 78.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.486 ' O ' ' OE1' ' A' ' 543' ' ' GLN . . . -63.15 -33.24 75.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 540' ' ' LEU . 0.5 OUTLIER -64.48 -30.15 71.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.543 ' CG2' ' O ' ' A' ' 541' ' ' ILE . 0.4 OUTLIER -108.98 3.53 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 538' ' ' ALA . 6.0 tmm? -66.53 -31.26 71.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.3 OUTLIER -60.62 -47.7 85.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.945 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.41 -34.05 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.494 ' CD2' ' CD1' ' A' ' 563' ' ' ILE . 0.2 OUTLIER -54.37 -88.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.609 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -107.56 -26.34 10.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 1.5 tt 96.67 22.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 542' ' ' MET . 7.4 m -152.43 144.83 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.435 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.401 ' HB1' ' CE ' ' A' ' 542' ' ' MET . . . -88.98 -24.1 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.33 -39.03 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -68.72 -39.46 80.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.485 HG13 ' CG ' ' A' ' 542' ' ' MET . 1.9 mm -70.67 -27.73 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.59 -22.86 64.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.47 -8.81 59.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 45.7 mt -100.08 146.68 32.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 173.53 14.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.24 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -66.15 -8.87 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.7 OUTLIER -112.8 -38.66 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.438 ' O ' ' CB ' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -45.04 -59.42 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -57.27 -35.56 69.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -45.09 -34.0 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.947 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.494 ' CD1' ' CD2' ' A' ' 545' ' ' LEU . 1.8 tt -63.82 -44.1 98.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -57.21 -34.42 68.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.14 -46.58 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.48 -44.89 81.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.478 ' HG2' ' CG2' ' A' ' 541' ' ' ILE . 2.5 mptt -67.07 -35.03 78.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 1.5 mm-40 -61.15 -36.45 79.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -61.49 -40.82 95.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 43.6 mt -60.05 -41.49 86.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.77 -32.02 73.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 28.3 mttt 66.9 89.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 48.2 t -143.54 -62.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 3.4 m 62.53 122.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -156.16 120.85 1.03 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -115.55 94.37 39.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.994 179.973 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 4.7 m170 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.47 115.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 531' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.46 171.79 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.404 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -13.16 21.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.416 ' CD ' ' C ' ' A' ' 533' ' ' GLN . 0.6 OUTLIER -69.79 -46.73 65.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.54 -39.01 86.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -67.47 -27.03 66.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.588 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -83.11 6.31 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -64.56 -23.4 67.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.67 -32.33 72.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.464 ' HA ' ' HB3' ' A' ' 542' ' ' MET . . . -56.74 -37.68 71.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.495 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 0.6 OUTLIER -70.57 -33.13 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.478 ' CG2' ' HG2' ' A' ' 567' ' ' LYS . 6.3 mt -90.46 -9.73 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.593 ' N ' ' O ' ' A' ' 538' ' ' ALA . 1.9 ptt? -66.76 -34.37 77.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.512 ' N ' ' HG2' ' A' ' 542' ' ' MET . 1.2 mt-30 -64.17 -39.5 94.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.9 t -63.36 -32.57 57.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.423 ' CD2' ' NZ ' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -73.76 -97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.492 ' OE1' ' OG1' ' A' ' 548' ' ' THR . 0.2 OUTLIER -106.08 -36.19 7.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.552 ' CD1' ' O ' ' A' ' 547' ' ' LEU . 0.2 OUTLIER 76.96 98.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 548' ' ' THR . . . . . 0.527 ' O ' ' CB ' ' A' ' 549' ' ' ALA . 47.5 p -157.47 -46.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 548' ' ' THR . . . 86.02 -44.2 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -63.72 -39.21 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -64.29 -38.79 92.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.45 ' CG2' ' HD2' ' A' ' 560' ' ' ARG . 12.4 mm -63.85 -26.76 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.16 -22.54 64.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 2.8 mmt -83.74 -8.53 59.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 12.0 mt -74.79 143.15 77.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -75.02 175.01 11.81 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.811 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . 0.504 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.5 Cg_endo -74.96 130.06 12.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 2.0 mt-10 87.02 -13.15 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 110.356 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.1 OUTLIER -91.6 -30.05 16.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.45 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 0.0 OUTLIER -56.26 -60.43 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -18.6 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 2.7 t -48.7 -35.85 14.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -62.18 -42.38 94.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 537' ' ' LYS . 2.1 tt -59.71 -34.59 73.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 15.0 mm -70.13 -46.08 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -35.46 80.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.478 ' HG2' ' CG2' ' A' ' 541' ' ' ILE . 0.0 OUTLIER -68.67 -45.85 70.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.52 -35.36 77.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 10.5 mt-30 -63.21 -38.61 91.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 30.4 mt -59.37 -41.89 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . 0.406 ' OE1' ' CA ' ' A' ' 571' ' ' GLN . 0.9 OUTLIER -64.86 -38.51 91.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt 63.01 83.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 6.3 t -157.41 167.57 29.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 26.4 m -121.55 126.87 50.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.428 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -162.18 178.79 37.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . 0.543 ' N ' ' CD ' ' A' ' 577' ' ' PRO . . . -59.04 -50.15 89.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 576' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.415 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -38.92 115.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.462 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 70.6 p -41.96 164.88 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.03 -20.18 17.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.594 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.41 -39.38 74.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.594 ' N ' HE21 ' A' ' 533' ' ' GLN . 4.2 t70 -66.91 -37.19 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.56 -25.97 61.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.629 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.57 7.2 46.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.472 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 0.5 OUTLIER -70.03 -22.53 63.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.02 -31.12 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -53.9 -37.05 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.486 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 3.0 tp -70.11 -32.78 70.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.508 ' CG2' ' HG3' ' A' ' 567' ' ' LYS . 7.2 mm -90.14 -10.24 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.553 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -60.72 -41.52 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.57 ' O ' ' HA ' ' A' ' 547' ' ' LEU . 0.2 OUTLIER -67.13 -47.44 71.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 22.2 t -69.63 -34.77 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 546' ' ' GLN . 3.1 tm? -45.97 -84.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.67 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.8 OUTLIER -104.49 -38.87 6.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.67 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 5.1 tp 149.2 -20.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 19.7 p -147.17 157.0 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 542' ' ' MET . . . -86.13 -5.43 59.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -62.58 -42.95 99.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -65.58 -44.54 86.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.485 HG22 ' CE ' ' A' ' 542' ' ' MET . 1.3 mm -74.45 -22.42 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -54.27 -21.46 9.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -15.28 60.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.55 152.26 43.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.491 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.1 Cg_endo -75.08 171.76 17.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.03 3.38 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -73.33 -1.88 19.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.8 mt-30 -119.36 -36.33 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 556' ' ' PRO . 3.0 mtm180 -40.98 -55.01 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -46.45 -30.12 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.248 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 76.9 p -42.08 -42.06 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.082 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 13.4 mm -59.16 -42.64 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 561' ' ' GLN . 0.9 OUTLIER -61.6 -39.2 90.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 72.4 mt -65.63 -47.42 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -34.54 78.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.508 ' HG3' ' CG2' ' A' ' 541' ' ' ILE . 2.4 mmtt -61.21 -36.9 81.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.38 -36.29 81.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -67.3 -39.01 85.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . 0.455 ' CD1' ' HE2' ' A' ' 567' ' ' LYS . 66.0 mt -59.76 -41.72 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.98 -39.99 94.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 35.2 mttt 63.28 135.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.2 133.89 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.971 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 1.7 t -162.55 51.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 101.92 59.95 0.77 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -93.5 163.04 25.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.97 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 530' ' ' MET . . . . . 0.419 ' HB3' ' CE1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER -37.64 112.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 111.048 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 531' ' ' THR . . . . . 0.456 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 73.2 p -41.83 164.59 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.406 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . 0.456 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -18.77 18.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 533' ' ' GLN . . . . . 0.602 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.56 -39.26 74.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.953 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 534' ' ' ASP . . . . . 0.602 ' N ' HE21 ' A' ' 533' ' ' GLN . 4.2 t70 -67.91 -39.23 83.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.419 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 13.3 m-70 -67.36 -26.73 66.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.63 9.65 15.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -68.99 -25.05 64.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.595 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -70.92 -31.27 67.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 542' ' ' MET . . . -55.55 -36.13 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.421 ' HA ' ' NE2' ' A' ' 543' ' ' GLN . 0.0 OUTLIER -67.59 -36.04 80.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.506 ' CD1' ' HG3' ' A' ' 567' ' ' LYS . 1.9 mt -85.85 -25.2 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 542' ' ' MET . . . . . 0.595 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -56.66 -32.02 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' A' ' 547' ' ' LEU . 3.6 mt-30 -60.91 -41.04 95.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.82 -29.5 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.518 ' CD2' ' OE1' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -68.75 -78.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.609 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 3.1 mp0 -101.72 -37.14 8.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.6 OUTLIER 96.59 16.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 3.0 m -143.59 140.06 29.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.438 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.476 ' CB ' ' HE2' ' A' ' 542' ' ' MET . . . -88.81 0.82 56.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -64.98 -48.45 73.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . 0.421 ' NE2' ' CB ' ' A' ' 546' ' ' GLN . 1.1 mp0 -70.01 -39.17 76.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 542' ' ' MET . 0.9 OUTLIER -70.42 -30.21 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.1 -22.77 63.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -4.2 53.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 9.7 mt -92.49 146.9 33.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -74.97 173.07 15.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.39 2.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.779 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -71.73 -3.7 23.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.7 mt-30 -116.64 -37.74 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 560' ' ' ARG . . . . . 0.524 ' O ' ' CB ' ' A' ' 538' ' ' ALA . 2.7 ttp180 -51.79 -62.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 561' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -56.34 -26.37 52.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.23 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 562' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.7 t -44.31 -35.47 2.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 563' ' ' ILE . . . . . 0.434 ' HB ' ' CB ' ' A' ' 538' ' ' ALA . 0.5 OUTLIER -61.59 -41.18 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 561' ' ' GLN . 2.0 tt -60.48 -35.42 75.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 15.4 mm -69.01 -46.16 79.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.48 -31.81 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.506 ' HG3' ' CD1' ' A' ' 541' ' ' ILE . 2.5 mmtt -59.91 -49.0 79.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 6.6 pt-20 -66.48 -34.55 78.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.243 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 569' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -64.98 -37.09 86.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 70.8 mt -57.96 -41.68 80.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 567' ' ' LYS . 1.3 mp0 -60.56 -40.75 92.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -88.05 66.53 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.55 94.06 4.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 1.1 m -129.65 -61.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 160.04 61.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . 60.99 155.08 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.457 1.767 . . . . 0.0 110.97 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.5 0.19 . . . . 0.0 111.014 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 71.6 p -41.7 164.52 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.355 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.06 -18.42 18.61 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.565 1.823 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.56 -39.2 74.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.45 -39.32 88.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 557' ' ' PRO . 16.7 m-70 -67.29 -25.74 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -82.2 5.22 20.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.65 ' HB3' HD12 ' A' ' 564' ' ' LEU . 5.1 mmpt? -69.62 -22.35 63.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -69.87 -32.53 70.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.21 -36.73 68.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.4 tp -64.1 -32.71 74.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 1.029 HG22 ' CD1' ' A' ' 545' ' ' LEU . 2.9 mt -99.25 -6.54 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.577 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -65.57 -38.42 89.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.426 ' HA ' ' CE ' ' A' ' 542' ' ' MET . 2.3 mt-30 -65.43 -46.92 78.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.6 t -70.5 -34.09 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 1.029 ' CD1' HG22 ' A' ' 541' ' ' ILE . 2.6 mp -53.56 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.688 ' O ' HD23 ' A' ' 547' ' ' LEU . 0.4 OUTLIER -105.51 -27.38 11.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.802 ' O ' HG23 ' A' ' 548' ' ' THR . 0.2 OUTLIER 91.87 37.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.802 HG23 ' O ' ' A' ' 547' ' ' LEU . 1.1 p -162.89 116.63 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.537 ' HB2' ' SD ' ' A' ' 542' ' ' MET . . . -69.82 -22.64 63.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -39.52 91.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -69.11 -42.13 76.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.579 HD11 HD22 ' A' ' 545' ' ' LEU . 0.9 OUTLIER -74.35 -27.54 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -60.76 -29.29 69.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -8.0 55.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 24.2 mt -91.29 150.07 40.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.511 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.3 Cg_endo -75.01 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.534 1.808 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 535' ' ' HIS . 18.3 Cg_endo -75.02 -35.39 3.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -73.05 -2.09 19.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -118.36 -36.13 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.648 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.9 OUTLIER -45.63 -60.03 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -58.29 -27.77 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.6 t -46.93 -34.1 5.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.694 HD12 HD21 ' A' ' 545' ' ' LEU . 40.9 mm -62.14 -36.48 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 537' ' ' LYS . 3.1 tt -67.47 -39.93 85.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.76 -47.55 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -34.99 78.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.748 ' HG3' HG21 ' A' ' 541' ' ' ILE . 1.6 mmtt -61.93 -36.71 82.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.11 -36.62 82.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -62.33 -40.74 97.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.649 HD12 ' HE2' ' A' ' 567' ' ' LYS . 83.2 mt -60.01 -35.28 60.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -64.1 -34.01 77.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 8.6 mttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.464 0.173 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.6 OUTLIER -43.67 167.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -74.99 -19.71 17.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -40.07 75.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.38 -40.15 89.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -77.22 -34.18 56.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.547 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.57 8.87 31.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.64 ' CB ' HD12 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -69.53 -23.21 63.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -66.75 -32.98 74.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.22 -36.42 70.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.531 HD23 ' CD1' ' A' ' 541' ' ' ILE . 0.0 OUTLIER -68.54 -32.27 72.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.675 ' O ' HD23 ' A' ' 545' ' ' LEU . 2.9 mp -101.5 9.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.586 ' CE ' ' HB2' ' A' ' 549' ' ' ALA . 2.4 tmm? -66.71 -43.59 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -62.84 -38.85 92.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 544' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 544' ' ' VAL . 3.1 t -67.92 -33.53 61.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 541' ' ' ILE . 1.9 mm? -55.55 -93.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.74 -18.75 14.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.562 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 93.24 31.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.423 ' OG1' ' C ' ' A' ' 547' ' ' LEU . 2.1 m -154.7 138.76 16.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.586 ' HB2' ' CE ' ' A' ' 542' ' ' MET . . . -84.73 -28.66 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.36 -39.32 90.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -64.61 -40.74 96.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.66 ' HA ' HD12 ' A' ' 555' ' ' LEU . 0.7 OUTLIER -72.29 -32.8 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.33 -22.83 65.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 77.4 mtp -80.24 -10.29 59.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 552' ' ' ILE . 2.4 mt -99.3 151.17 37.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 174.15 13.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -40.41 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.31 -9.07 29.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.8 OUTLIER -109.7 -34.69 6.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -52.84 -59.46 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.263 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -51.89 -28.64 16.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.3 t -45.2 -35.57 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.628 HG12 HD21 ' A' ' 545' ' ' LEU . 8.5 mt -62.22 -40.46 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.64 HD12 ' CB ' ' A' ' 537' ' ' LYS . 2.3 tt -62.02 -38.69 89.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.453 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 18.8 mm -65.57 -47.47 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -33.95 74.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.586 ' HG3' HD13 ' A' ' 541' ' ' ILE . 5.8 mmtt -61.11 -48.01 83.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 10.6 pt-20 -67.93 -35.75 78.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 569' ' ' GLN . . . . . 0.426 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.5 OUTLIER -62.91 -38.23 90.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 567' ' ' LYS . 24.8 mt -59.09 -38.08 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -60.47 -42.57 96.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.408 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.496 0.189 . . . . 0.0 110.985 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.42 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.3 OUTLIER -44.35 169.16 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -75.02 -19.59 17.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 533' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 536' ' ' GLU . 0.6 OUTLIER -69.67 -39.48 76.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.44 -35.98 82.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -77.26 -29.69 54.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 536' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 536' ' ' GLU . 0.4 OUTLIER -83.59 5.0 25.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.728 ' CB ' HD12 ' A' ' 564' ' ' LEU . 1.1 mmpt? -64.23 -23.08 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -68.15 -33.64 74.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.98 -38.24 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 540' ' ' LEU . 2.2 tp -68.22 -33.43 74.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.661 HG23 ' HE3' ' A' ' 567' ' ' LYS . 3.1 mt -92.92 -2.67 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.598 ' SD ' ' HB2' ' A' ' 549' ' ' ALA . 2.9 ttp -66.08 -37.18 85.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.708 ' CB ' HD12 ' A' ' 547' ' ' LEU . 1.2 pt20 -63.91 -40.42 96.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.12 -31.98 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 541' ' ' ILE . 0.7 OUTLIER -71.28 -100.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.438 ' CD ' ' NE2' ' A' ' 551' ' ' GLN . 0.0 OUTLIER -106.07 -25.21 12.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.708 HD12 ' CB ' ' A' ' 543' ' ' GLN . 0.5 OUTLIER 67.92 61.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.874 HG22 ' H ' ' A' ' 550' ' ' ASP . 1.5 m -136.92 -48.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 86.44 -20.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.874 ' H ' HG22 ' A' ' 548' ' ' THR . 20.3 t0 -65.76 -46.29 79.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 551' ' ' GLN . . . . . 0.466 ' NE2' ' HB ' ' A' ' 548' ' ' THR . 0.0 OUTLIER -68.7 -39.31 80.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.743 ' HA ' HD12 ' A' ' 555' ' ' LEU . 1.1 mm -74.81 -28.16 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -64.24 -38.52 91.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 10.6 ptp -81.06 -3.17 50.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 552' ' ' ILE . 36.9 mt -86.97 148.01 44.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.56 14.31 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -40.43 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.62 -8.26 26.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.5 OUTLIER -110.35 -38.69 5.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -50.38 -62.96 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 564' ' ' LEU . 4.7 tt0 -56.56 -26.9 56.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -46.27 -35.95 5.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.554 ' CD1' HD11 ' A' ' 552' ' ' ILE . 3.1 mt -62.2 -39.36 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.728 HD12 ' CB ' ' A' ' 537' ' ' LYS . 2.9 tt -64.33 -39.46 93.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 15.9 mm -65.49 -47.94 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -33.97 75.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.661 ' HE3' HG23 ' A' ' 541' ' ' ILE . 8.6 mmtt -60.8 -37.29 81.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -62.15 -36.57 82.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.294 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -62.96 -39.07 93.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 567' ' ' LYS . 62.8 mt -61.77 -40.53 87.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.85 -41.53 95.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 19.8 mttt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.509 0.195 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.505 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 44.4 p -43.49 167.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.505 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.05 -13.36 21.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 110.959 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 533' ' ' GLN . . . . . 0.464 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.3 OUTLIER -70.87 -40.09 72.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.29 -37.18 86.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -68.56 -25.89 65.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -83.92 6.15 22.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 18.0 mtpt -64.06 -24.51 67.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.843 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -70.3 -33.36 71.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.32 -35.83 70.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.94 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -64.21 -32.67 74.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.763 HD13 ' HA ' ' A' ' 564' ' ' LEU . 2.3 mt -98.08 -6.85 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 538' ' ' ALA . 2.6 tmm? -65.64 -43.01 90.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.95 -37.38 81.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.8 -33.59 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 567' ' ' LYS . 41.1 tp -73.12 -101.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.495 ' CD ' ' N ' ' A' ' 547' ' ' LEU . 1.7 pp0? -107.62 -30.3 8.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 0.2 OUTLIER 76.36 105.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.694 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 18.5 m -163.06 -47.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 83.96 -45.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -37.94 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 551' ' ' GLN . . . . . 0.477 ' HG3' HG21 ' A' ' 548' ' ' THR . 46.7 mt-30 -68.24 -39.09 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.775 HD13 HD12 ' A' ' 555' ' ' LEU . 7.2 mm -67.5 -31.17 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.51 67.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 2.6 mmm -78.36 -8.62 58.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.775 HD12 HD13 ' A' ' 552' ' ' ILE . 31.7 mt -99.08 147.31 33.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 174.15 13.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -40.67 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.73 -9.48 28.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -111.55 -36.92 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.843 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 1.1 ttp180 -46.7 -60.62 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.587 ' OE1' HD22 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -63.56 -30.78 71.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 562' ' ' SER . . . . . . . . . . . . . 3.1 t -51.49 -34.5 36.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.1 tt -62.31 -41.44 91.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.763 ' HA ' HD13 ' A' ' 541' ' ' ILE . 1.1 tt -58.43 -34.32 70.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 82.8 mt -72.35 -45.82 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -44.84 82.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.808 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.1 OUTLIER -67.32 -35.67 79.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 6.3 mm-40 -60.85 -36.23 78.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.3 -38.52 91.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 567' ' ' LYS . 26.3 mt -59.52 -41.94 86.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.0 -34.69 78.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 2.0 mttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.275 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.411 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.49 0.186 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.452 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 73.2 p -41.9 164.54 0.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.0 -18.77 18.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.48 -39.29 74.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.99 -37.24 83.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.407 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 1.7 m-70 -74.65 -26.92 60.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.58 9.22 30.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.471 ' CG ' HD12 ' A' ' 564' ' ' LEU . 13.7 tttt -70.11 -22.97 62.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -62.44 -33.56 75.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -57.74 -37.24 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.671 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.9 tp -68.7 -33.36 73.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.85 HG22 HD23 ' A' ' 545' ' ' LEU . 7.0 mm -87.08 -19.37 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.532 ' N ' ' O ' ' A' ' 538' ' ' ALA . 7.5 mtt -58.08 -35.54 71.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -63.85 -48.32 77.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.69 -34.69 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.85 HD23 HG22 ' A' ' 541' ' ' ILE . 0.7 OUTLIER -53.17 -87.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.642 ' O ' HD23 ' A' ' 547' ' ' LEU . 3.0 pm0 -103.86 -32.03 9.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 547' ' ' LEU . 0.3 OUTLIER 88.45 42.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.73 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 3.8 m -147.07 -48.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 88.56 -33.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.599 ' H ' HG22 ' A' ' 548' ' ' THR . 12.0 t0 -59.99 -39.29 85.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -64.59 -43.58 93.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.494 ' HA ' HD12 ' A' ' 555' ' ' LEU . 0.3 OUTLIER -74.77 -25.79 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.59 61.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 7.2 mtp -77.88 -11.53 59.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 552' ' ' ILE . 15.8 mt -86.32 155.27 57.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.08 13.4 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -41.98 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -64.98 -10.03 26.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.556 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.2 mt-30 -106.39 -34.59 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.664 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.8 OUTLIER -43.77 -57.63 3.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 564' ' ' LEU . 2.6 tt0 -57.99 -29.66 65.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.9 t -47.24 -35.34 7.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.011 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 27.2 mm -62.74 -36.75 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 564' ' ' LEU . 0.9 OUTLIER -67.2 -39.55 86.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.409 ' N ' HD23 ' A' ' 564' ' ' LEU . 16.4 mm -64.06 -47.41 90.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -34.39 76.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.724 ' HE2' HD12 ' A' ' 570' ' ' ILE . 1.9 mmtt -61.41 -42.14 98.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.86 -35.42 78.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 569' ' ' GLN . . . . . 0.459 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -64.45 -39.04 93.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.724 HD12 ' HE2' ' A' ' 567' ' ' LYS . 96.4 mt -59.71 -40.97 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -60.61 -34.38 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.485 0.183 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.2 OUTLIER -44.5 169.27 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.421 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -74.94 -18.9 18.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -40.14 76.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 534' ' ' ASP . . . . . 0.403 ' OD2' ' CD ' ' A' ' 561' ' ' GLN . 4.1 t70 -67.01 -37.03 83.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -75.14 -39.75 60.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -83.08 5.51 22.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.434 ' CG ' HD12 ' A' ' 564' ' ' LEU . 0.4 OUTLIER -64.9 -23.26 67.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.961 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -63.1 -33.26 75.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.52 -38.65 72.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 2.8 tp -68.55 -33.35 73.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.819 HG22 HD23 ' A' ' 545' ' ' LEU . 2.2 mt -95.59 9.33 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.784 ' SD ' ' HB2' ' A' ' 549' ' ' ALA . 1.1 ttp -66.01 -45.54 81.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -38.74 70.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.97 -32.96 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.819 HD23 HG22 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -73.83 -101.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.497 ' OE1' ' CB ' ' A' ' 548' ' ' THR . 0.3 OUTLIER -107.25 -23.06 12.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.544 HD23 ' HE3' ' A' ' 542' ' ' MET . 0.9 OUTLIER 72.39 92.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.672 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 68.0 m -157.01 -47.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.784 ' HB2' ' SD ' ' A' ' 542' ' ' MET . . . 83.68 -45.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.2 -38.69 80.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 551' ' ' GLN . . . . . 0.42 ' HG3' HG21 ' A' ' 548' ' ' THR . 38.3 mt-30 -69.11 -39.22 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.745 ' HA ' HD12 ' A' ' 555' ' ' LEU . 3.6 mm -74.65 -27.8 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -74.92 -39.49 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 551' ' ' GLN . 5.5 ppp? -86.14 -5.7 59.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 552' ' ' ILE . 3.5 mt -72.76 153.38 91.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -74.95 173.79 13.89 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -32.84 4.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.546 1.814 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.63 0.03 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.408 ' HA ' ' OG ' ' A' ' 562' ' ' SER . 2.1 mt-30 -119.47 -40.54 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.961 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 1.1 mmm180 -44.8 -56.49 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.1 OUTLIER -76.36 -32.56 58.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.408 ' OG ' ' HA ' ' A' ' 559' ' ' GLN . 19.4 p -44.85 -38.33 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.6 mm -59.84 -40.43 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.538 HD23 ' C ' ' A' ' 564' ' ' LEU . 2.5 tt -64.29 -39.9 94.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.172 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.42 -47.47 91.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -35.19 78.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.764 ' HG3' HG21 ' A' ' 541' ' ' ILE . 1.4 mmtt -65.72 -36.96 85.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.96 -41.87 99.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -66.86 -40.78 87.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.09 -36.89 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.22 -31.99 73.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.235 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 38.0 tttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.723 ' C ' HG23 ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.517 0.199 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.723 HG23 ' C ' ' A' ' 530' ' ' MET . 0.5 OUTLIER 63.07 -173.71 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.06 -16.62 19.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -70.04 -40.01 75.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 534' ' ' ASP . . . . . 0.475 ' CG ' HE21 ' A' ' 561' ' ' GLN . 25.4 t0 -60.35 -37.83 81.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' A' ' 557' ' ' PRO . 93.6 m-70 -80.02 -24.91 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.645 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.83 -4.84 51.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.475 ' HB3' HD12 ' A' ' 564' ' ' LEU . 17.4 mmtt -63.86 -22.86 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.732 ' HB3' ' HG2' ' A' ' 560' ' ' ARG . . . -70.6 -32.96 70.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -53.79 -36.44 62.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.837 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.2 tp -67.95 -31.37 71.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.545 HD12 ' HD2' ' A' ' 567' ' ' LYS . 30.7 mm -88.98 -19.61 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 538' ' ' ALA . 15.7 mtt -56.94 -39.77 75.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.24 -41.59 76.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 48.7 t -64.38 -34.67 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.541 HD23 HG22 ' A' ' 541' ' ' ILE . 0.2 OUTLIER -52.98 -96.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 2.7 pm0 -104.6 -21.23 13.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 90.92 33.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.69 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 90.1 m -130.35 -48.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 85.19 -12.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.634 ' HB2' HG22 ' A' ' 548' ' ' THR . 3.6 t70 -66.22 -42.75 88.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 551' ' ' GLN . . . . . 0.538 ' CD ' ' N ' ' A' ' 551' ' ' GLN . 5.0 mp0 -61.55 -44.43 97.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 555' ' ' LEU . 1.3 mm -74.55 -26.81 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.26 66.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.485 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 2.0 ppp? -81.17 -5.84 58.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 552' ' ' ILE . 40.8 mt -95.15 151.13 38.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.18 11.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.425 ' O ' ' ND1' ' A' ' 535' ' ' HIS . 18.3 Cg_endo -75.0 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -61.32 -13.45 19.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.1 mt-30 -106.24 -34.04 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.732 ' HG2' ' HB3' ' A' ' 538' ' ' ALA . 0.8 OUTLIER -46.21 -58.94 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.475 HE21 ' CG ' ' A' ' 534' ' ' ASP . 0.6 OUTLIER -54.08 -29.54 44.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.1 t -51.6 -34.64 38.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 50.1 mm -62.61 -39.47 84.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.532 HD23 ' C ' ' A' ' 564' ' ' LEU . 1.3 tt -60.61 -39.04 86.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 75.9 mt -66.89 -46.71 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -34.29 77.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.545 ' HD2' HD12 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -60.71 -36.8 79.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.32 -40.69 98.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -67.79 -38.64 83.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.537 HD12 ' HE2' ' A' ' 567' ' ' LYS . 74.0 mt -59.33 -34.87 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -60.58 -31.88 71.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.57 ' HB3' ' CE1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.501 0.191 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.461 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 70.7 p -41.71 164.51 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.06 -17.86 19.07 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.809 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.47 -38.88 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -62.02 -44.25 97.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 20.1 m-70 -67.5 -26.42 66.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.57 3.89 26.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.874 ' O ' HD12 ' A' ' 541' ' ' ILE . 25.8 mmtt -64.39 -22.92 67.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.97 -31.13 69.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.486 ' O ' ' CG ' ' A' ' 542' ' ' MET . . . -56.33 -44.5 80.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.6 OUTLIER -68.53 -41.59 79.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.874 HD12 ' O ' ' A' ' 537' ' ' LYS . 2.7 mt -81.37 -4.2 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.601 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -66.86 -33.64 76.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.449 ' N ' ' HG2' ' A' ' 542' ' ' MET . 5.3 mt-30 -63.51 -46.78 84.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 33.6 t -63.5 -32.24 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 541' ' ' ILE . 2.8 mm? -67.29 -99.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.41 -23.76 12.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.762 ' O ' HG23 ' A' ' 548' ' ' THR . 4.8 tp 66.64 84.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 547' ' ' LEU . 1.4 p -161.54 -44.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 84.65 -44.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -59.68 -38.83 82.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -65.67 -38.82 90.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.92 -28.59 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.87 70.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 4.5 mmt -81.84 -3.59 54.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 11.7 mt -94.29 146.14 31.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.4 Cg_endo -74.97 173.51 14.39 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.7 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -68.66 -6.36 25.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.2 mt-30 -114.69 -38.09 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 2.5 ttp180 -51.56 -62.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -57.06 -24.82 56.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -47.35 -37.38 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.421 HG22 HD13 ' A' ' 541' ' ' ILE . 3.2 mt -62.2 -41.21 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.581 HD12 ' CB ' ' A' ' 537' ' ' LYS . 1.3 tt -60.48 -34.01 73.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.467 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 4.0 mm -69.81 -46.56 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -33.72 74.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.608 ' HG3' HG21 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -60.87 -48.21 82.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 7.5 pt-20 -67.65 -35.45 78.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 569' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -63.3 -38.03 89.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 567' ' ' LYS . 54.4 mt -58.85 -40.81 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.0 -43.23 96.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.734 ' C ' HG23 ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.492 0.187 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.734 HG23 ' C ' ' A' ' 530' ' ' MET . 0.6 OUTLIER 64.74 -172.54 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -16.76 20.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.558 1.82 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 533' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 537' ' ' LYS . 0.0 OUTLIER -69.55 -39.87 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -67.01 -41.34 86.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -77.42 -26.35 51.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.632 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 536' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 24.7 tt0 -99.07 7.39 45.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 533' ' ' GLN . 5.9 mttt -69.88 -22.26 63.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.738 ' HB3' ' HG2' ' A' ' 560' ' ' ARG . . . -64.95 -33.72 76.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.465 ' HA ' ' CB ' ' A' ' 542' ' ' MET . . . -57.21 -36.51 70.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 1.023 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.2 OUTLIER -59.38 -33.28 71.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.51 HG21 ' CG ' ' A' ' 567' ' ' LYS . 3.3 mt -97.81 -14.22 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.561 ' CE ' ' HB2' ' A' ' 549' ' ' ALA . 12.4 tmm? -58.63 -34.37 71.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 547' ' ' LEU . 2.0 pt20 -62.0 -44.49 96.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.51 -33.38 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.85 HD12 ' HG3' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -56.14 -89.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.85 ' HG3' HD12 ' A' ' 545' ' ' LEU . 0.0 OUTLIER -108.05 -35.18 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.717 ' O ' HG23 ' A' ' 548' ' ' THR . 2.9 tp 99.46 33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 547' ' ' LEU . 1.6 p -160.75 111.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.561 ' HB2' ' CE ' ' A' ' 542' ' ' MET . . . -63.79 -12.92 39.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.61 -45.78 92.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -68.86 -39.67 79.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.551 HG22 ' HD2' ' A' ' 560' ' ' ARG . 2.3 mm -73.45 -25.3 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -59.16 -22.21 60.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.491 ' C ' HD23 ' A' ' 555' ' ' LEU . 39.2 mtt -69.96 -21.62 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.685 HD23 ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -98.07 146.22 31.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.2 Cg_endo -75.01 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -66.34 -8.82 27.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.534 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.0 mt-30 -115.47 -39.12 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.738 ' HG2' ' HB3' ' A' ' 538' ' ' ALA . 1.2 ttp180 -41.44 -56.86 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -42.32 -33.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 57.0 p -43.4 -39.99 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.464 HD11 ' CD2' ' A' ' 545' ' ' LEU . 0.1 OUTLIER -59.94 -43.19 91.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.521 HD23 ' C ' ' A' ' 564' ' ' LEU . 1.0 OUTLIER -59.38 -35.59 74.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 24.7 mt -72.19 -44.99 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -44.82 85.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.782 ' HA ' HD12 ' A' ' 570' ' ' ILE . 4.1 tptt -68.88 -36.58 78.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 15.3 mm-40 -60.99 -36.04 78.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -62.6 -38.16 89.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 567' ' ' LYS . 30.8 mt -59.21 -41.88 85.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.12 -39.94 90.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.545 ' CE ' ' NE2' ' A' ' 535' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.474 0.178 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.545 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 30.0 p -43.93 169.94 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.545 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.07 -22.4 14.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.61 -38.73 70.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -61.56 -37.68 84.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 557' ' ' PRO . 1.3 m-70 -75.01 -34.1 61.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -89.47 11.31 19.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.755 ' CD ' HD12 ' A' ' 564' ' ' LEU . 1.8 tttt -70.71 -23.05 62.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -62.24 -32.41 73.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.469 ' HA ' ' CE ' ' A' ' 542' ' ' MET . . . -56.2 -38.13 70.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.941 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.6 OUTLIER -68.92 -31.28 70.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 541' ' ' ILE . 5.6 mt -96.89 7.11 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.469 ' CE ' ' HA ' ' A' ' 539' ' ' ALA . 0.0 OUTLIER -65.61 -44.86 85.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -39.19 90.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 7.8 t -65.18 -33.24 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.477 ' CD2' ' OE1' ' A' ' 546' ' ' GLN . 63.3 tp -68.36 -99.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.489 ' HG2' ' N ' ' A' ' 547' ' ' LEU . 3.2 pm0 -105.64 -34.97 7.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.489 ' N ' ' HG2' ' A' ' 546' ' ' GLN . 0.0 OUTLIER 84.63 74.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.764 HG22 ' H ' ' A' ' 550' ' ' ASP . 1.2 m -168.18 -41.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.46 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.764 ' H ' HG22 ' A' ' 548' ' ' THR . 0.4 OUTLIER -60.4 -39.38 87.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -69.05 -39.38 79.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.625 HD11 HD12 ' A' ' 563' ' ' ILE . 0.9 OUTLIER -74.5 -28.23 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -60.38 -30.39 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.5 -5.94 51.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 3.7 mt -95.25 143.86 26.83 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -75.03 173.57 14.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.603 ' O ' ' CE1' ' A' ' 535' ' ' HIS . 18.4 Cg_endo -75.0 -37.29 2.09 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.511 1.795 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -70.47 -4.78 24.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.5 mt-30 -117.33 -39.79 3.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.58 -56.36 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 564' ' ' LEU . 1.1 tt0 -57.46 -32.63 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.8 t -45.16 -34.08 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.625 HD12 HD11 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -62.52 -40.04 86.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.755 HD12 ' CD ' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -59.89 -36.61 77.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.632 HD13 ' CD2' ' A' ' 564' ' ' LEU . 22.1 mm -71.66 -44.82 69.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -45.44 85.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.555 ' HA ' HD12 ' A' ' 570' ' ' ILE . 5.6 tptp -69.77 -37.56 76.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.13 -37.73 86.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.58 -38.96 89.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 567' ' ' LYS . 31.0 mt -63.88 -38.5 82.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -35.53 79.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.715 ' C ' HG23 ' A' ' 531' ' ' THR . 9.0 mtm . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.527 0.203 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.715 HG23 ' C ' ' A' ' 530' ' ' MET . 0.5 OUTLIER 62.57 -174.92 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.547 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.6 Cg_endo -74.89 -18.93 18.62 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.43 -38.21 84.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 534' ' ' ASP . . . . . 0.532 ' OD2' ' NE2' ' A' ' 561' ' ' GLN . 37.2 t70 -59.19 -38.81 80.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -70.57 -26.77 63.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.49 8.27 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.48 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 7.2 mmmt -70.13 -22.57 62.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.503 ' HB2' ' HA ' ' A' ' 561' ' ' GLN . . . -63.59 -32.33 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -55.39 -37.61 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.611 ' O ' HD12 ' A' ' 540' ' ' LEU . 2.3 tp -69.15 -33.13 72.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.64 HG23 ' HG2' ' A' ' 567' ' ' LYS . 3.0 mm -83.77 -23.01 8.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.541 ' HE1' ' HB2' ' A' ' 549' ' ' ALA . 3.4 tmm? -57.02 -35.44 69.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -69.36 -38.17 77.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.9 t -61.97 -33.51 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.84 -103.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' A' ' 547' ' ' LEU . 2.9 pp0? -107.88 -24.29 11.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.771 ' C ' HD12 ' A' ' 547' ' ' LEU . 0.1 OUTLIER 79.28 102.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.706 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 1.2 m -170.85 -43.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 86.56 -35.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.644 ' H ' HG22 ' A' ' 548' ' ' THR . 2.1 t0 -59.35 -37.0 76.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 551' ' ' GLN . . . . . 0.414 ' NE2' ' HG2' ' A' ' 546' ' ' GLN . 1.1 mt-30 -61.27 -45.31 95.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.631 HD11 HD12 ' A' ' 563' ' ' ILE . 1.2 mp -75.84 -30.75 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.91 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 551' ' ' GLN . 2.9 ptm -79.82 -0.5 34.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 4.8 mt -106.54 146.96 34.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -74.93 174.63 12.43 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -37.96 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -69.12 -6.8 30.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.6 mt-30 -119.01 -35.45 3.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.528 ' CG ' HG23 ' A' ' 552' ' ' ILE . 0.1 OUTLIER -45.31 -71.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.532 ' NE2' ' OD2' ' A' ' 534' ' ' ASP . 3.0 tt0 -47.85 -33.95 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.7 OUTLIER -44.14 -35.65 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.631 HD12 HD11 ' A' ' 552' ' ' ILE . 0.1 OUTLIER -62.04 -43.89 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.568 HD23 ' C ' ' A' ' 564' ' ' LEU . 1.7 tt -59.65 -38.67 82.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.477 HD11 ' OE1' ' A' ' 561' ' ' GLN . 50.8 mt -69.93 -44.18 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -37.98 89.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.926 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.5 OUTLIER -69.24 -40.77 77.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.53 -35.27 77.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 569' ' ' GLN . . . . . 0.455 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 3.5 mt-30 -62.08 -38.57 89.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.926 HD12 ' HA ' ' A' ' 567' ' ' LYS . 16.1 mt -59.54 -41.7 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -40.13 92.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 2.2 tttm . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.515 0.197 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.419 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.7 OUTLIER -43.17 167.09 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.04 -20.55 16.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.95 -40.06 75.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -63.09 -37.69 88.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.342 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -77.49 -25.86 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.617 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -97.42 8.32 44.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.728 ' CB ' HD12 ' A' ' 564' ' ' LEU . 0.1 OUTLIER -69.78 -22.48 63.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.21 -32.29 72.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.538 ' O ' ' HE2' ' A' ' 542' ' ' MET . . . -56.89 -38.48 72.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.408 ' O ' HD12 ' A' ' 540' ' ' LEU . 2.9 tp -69.18 -35.21 76.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.961 HG22 HD12 ' A' ' 545' ' ' LEU . 13.8 mm -84.15 -22.57 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.888 ' SD ' ' HB2' ' A' ' 549' ' ' ALA . 0.0 OUTLIER -58.33 -32.86 68.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.492 ' N ' ' HG2' ' A' ' 542' ' ' MET . 19.6 mt-30 -63.34 -49.72 72.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.1 -34.09 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.961 HD12 HG22 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -55.88 -86.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.625 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.71 -31.85 9.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.625 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 98.28 14.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.97 128.43 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.888 ' HB2' ' SD ' ' A' ' 542' ' ' MET . . . -80.66 -0.97 40.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.45 -47.15 87.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 551' ' ' GLN . . . . . 0.429 ' NE2' ' HB2' ' A' ' 546' ' ' GLN . 1.8 mp0 -69.01 -39.4 79.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 1.114 HD13 HD12 ' A' ' 555' ' ' LEU . 8.0 mm -68.07 -32.78 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.2 -32.36 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.08 -2.68 58.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 1.114 HD12 HD13 ' A' ' 552' ' ' ILE . 87.4 mt -95.79 147.38 32.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.71 14.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.556 1.819 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -40.42 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.04 -9.04 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -111.19 -37.39 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.451 ' CD ' HG23 ' A' ' 552' ' ' ILE . 2.9 ttp180 -54.29 -67.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.422 ' NE2' HG13 ' A' ' 565' ' ' ILE . 0.1 OUTLIER -54.14 -18.88 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.9 OUTLIER -56.16 -34.86 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 13.3 mt -62.29 -38.84 82.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.728 HD12 ' CB ' ' A' ' 537' ' ' LYS . 2.8 tt -60.53 -37.93 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.422 HG13 ' NE2' ' A' ' 561' ' ' GLN . 85.6 mt -66.71 -47.59 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -35.1 78.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.626 ' CG ' HG21 ' A' ' 541' ' ' ILE . 2.9 mmtt -61.63 -36.83 81.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.81 -37.74 88.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -64.98 -39.76 93.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.64 -36.99 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 571' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 567' ' ' LYS . 1.4 mp0 -65.84 -38.51 89.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 6.5 mttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.542 0.21 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.425 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.7 OUTLIER -52.82 167.0 0.42 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -74.99 -9.18 20.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 533' ' ' GLN . . . . . 0.425 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 3.6 pp0? -70.54 -39.24 74.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -61.35 -40.91 96.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -74.23 -25.97 59.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.589 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -85.24 4.37 35.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.699 ' HB3' HD12 ' A' ' 564' ' ' LEU . 3.0 mmpt? -63.99 -23.2 67.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -62.44 -34.28 76.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -63.68 -36.97 85.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -33.11 73.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.881 HD13 ' HA ' ' A' ' 564' ' ' LEU . 0.5 OUTLIER -89.56 -17.66 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.81 ' CE ' HD13 ' A' ' 552' ' ' ILE . 4.4 mmt -58.22 -35.48 71.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.523 ' HA ' ' CB ' ' A' ' 547' ' ' LEU . 6.0 mt-30 -66.5 -38.28 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 36.3 t -62.01 -32.76 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.647 HD21 ' HD3' ' A' ' 567' ' ' LYS . 4.5 mm? -78.52 -98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.561 ' NE2' ' SD ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -106.55 -30.6 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 543' ' ' GLN . 0.0 OUTLIER 78.85 92.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.731 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 17.4 m -160.98 -44.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.36 -34.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.601 ' HB2' HG22 ' A' ' 548' ' ' THR . 0.5 OUTLIER -59.19 -36.81 76.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -45.16 95.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.81 HD13 ' CE ' ' A' ' 542' ' ' MET . 0.5 OUTLIER -75.18 -33.04 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.18 -22.44 60.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 3.1 mmm -84.25 -5.41 59.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 20.4 mt -106.82 155.2 39.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.58 12.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.91 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.13 -9.48 31.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.6 mt-30 -116.44 -35.99 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -42.13 -60.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -31.65 67.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.9 t -46.58 -35.51 5.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.8 tp -62.38 -43.88 98.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.881 ' HA ' HD13 ' A' ' 541' ' ' ILE . 1.4 tt -58.95 -39.49 81.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.451 ' O ' ' HG3' ' A' ' 568' ' ' GLU . 85.9 mt -65.03 -45.39 94.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -38.41 79.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.841 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.0 OUTLIER -69.88 -48.55 58.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -65.06 -33.26 75.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 569' ' ' GLN . . . . . 0.519 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 6.2 mt-30 -61.59 -38.23 86.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.841 HD12 ' HA ' ' A' ' 567' ' ' LYS . 11.1 mt -59.07 -36.42 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -60.38 -42.87 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 10.1 mttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.781 ' C ' HG23 ' A' ' 531' ' ' THR . 1.5 ttp . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.509 0.195 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.781 HG23 ' C ' ' A' ' 530' ' ' MET . 0.8 OUTLIER 68.61 178.2 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.01 -18.94 18.29 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.474 1.776 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -39.59 79.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 534' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 530' ' ' MET . 24.4 t0 -61.69 -49.71 75.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 558' ' ' GLU . 95.2 m-70 -67.81 -25.67 65.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -78.28 0.44 25.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.565 ' HB3' HD13 ' A' ' 564' ' ' LEU . 0.2 OUTLIER -64.1 -22.82 67.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.525 ' HB3' ' HG2' ' A' ' 560' ' ' ARG . . . -69.35 -27.88 65.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -50.77 -37.28 41.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.705 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.5 tp -61.86 -32.58 72.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.703 HD12 ' HD2' ' A' ' 567' ' ' LYS . 3.1 mm -95.55 -15.15 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 546' ' ' GLN . 28.8 ttm -58.3 -32.27 68.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 540' ' ' LEU . 3.1 pt20 -61.59 -42.96 99.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.37 -42.5 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.462 ' HB3' HD11 ' A' ' 552' ' ' ILE . 0.2 OUTLIER -93.41 19.47 8.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -84.72 -6.98 59.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 5.3 tt -39.59 -29.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.73 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 0.7 OUTLIER -135.19 -49.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.408 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.03 -32.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -59.67 -37.79 79.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 551' ' ' GLN . . . . . 0.43 ' O ' ' HG ' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -62.75 -45.32 93.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.462 HD11 ' HB3' ' A' ' 545' ' ' LEU . 3.0 mm -74.5 -41.56 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.4 -22.27 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.4 mmm -80.6 -9.69 59.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 551' ' ' GLN . 16.3 mt -103.9 147.5 34.38 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -74.92 175.39 11.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 556' ' ' PRO . 18.3 Cg_endo -75.03 -38.6 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 558' ' ' GLU . . . . . 0.445 ' HA ' ' CE1' ' A' ' 535' ' ' HIS . 25.9 tt0 -69.0 -6.0 25.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.4 mt-30 -116.99 -35.84 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.525 ' HG2' ' HB3' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -40.85 -56.25 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.5 OUTLIER -47.81 -34.47 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 4.9 t -45.89 -33.58 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 563' ' ' ILE . 10.8 mm -61.54 -39.19 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.687 HD23 HD13 ' A' ' 565' ' ' ILE . 1.4 tt -60.68 -34.55 74.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.687 HD13 HD23 ' A' ' 564' ' ' LEU . 18.7 mm -71.93 -45.56 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -45.47 83.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.812 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.1 OUTLIER -69.34 -35.94 76.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 2.6 tt0 -60.66 -35.59 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -65.09 -37.88 88.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 567' ' ' LYS . 32.4 mt -58.78 -35.91 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -61.86 -32.6 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 15.5 tttp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.765 ' C ' HG23 ' A' ' 531' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.509 0.195 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.765 HG23 ' C ' ' A' ' 530' ' ' MET . 1.5 p 72.11 179.5 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -36.55 2.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.67 -37.29 68.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 534' ' ' ASP . . . . . 0.54 ' OD2' ' NE2' ' A' ' 561' ' ' GLN . 12.3 t0 -58.74 -45.55 89.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 561' ' ' GLN . 56.1 m-70 -78.01 -25.85 48.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.636 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.8 -0.89 55.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.647 ' CB ' HD12 ' A' ' 564' ' ' LEU . 0.7 OUTLIER -68.21 -23.1 64.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.783 ' HB3' ' HG2' ' A' ' 560' ' ' ARG . . . -71.78 -30.5 65.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.405 ' HA ' ' HB2' ' A' ' 542' ' ' MET . . . -53.78 -40.97 66.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.5 tp -67.61 -34.16 76.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.765 HG22 HD23 ' A' ' 545' ' ' LEU . 6.3 mm -92.28 6.35 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.471 ' SD ' ' CG2' ' A' ' 552' ' ' ILE . 2.7 ttp -65.92 -45.02 83.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.407 ' HA ' ' HA ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -68.11 -39.27 82.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 31.2 t -68.05 -33.69 62.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.765 HD23 HG22 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -55.4 -96.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.548 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.32 -15.89 15.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.548 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER 91.69 29.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.401 ' OG1' ' C ' ' A' ' 547' ' ' LEU . 2.4 m -153.47 139.7 18.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 553' ' ' ALA . . . -90.11 -20.24 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.88 -38.61 86.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -68.68 -45.62 71.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.696 ' HA ' HD12 ' A' ' 555' ' ' LEU . 0.2 OUTLIER -74.58 -30.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -61.11 -23.43 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.88 -0.84 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 552' ' ' ILE . 40.3 mt -99.17 150.13 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.59 12.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -43.56 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.781 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.1 -13.03 22.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -104.67 -37.92 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.783 ' HG2' ' HB3' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -54.29 -62.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.54 ' NE2' ' OD2' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -50.79 -28.71 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.249 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.631 ' HA ' HD12 ' A' ' 565' ' ' ILE . 0.3 OUTLIER -50.62 -32.53 19.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.406 HD13 ' HG ' ' A' ' 545' ' ' LEU . 19.6 mt -65.15 -38.5 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.647 HD12 ' CB ' ' A' ' 537' ' ' LYS . 1.1 tt -61.43 -38.72 88.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 562' ' ' SER . 24.6 mt -64.9 -47.96 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -35.61 78.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.172 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.853 ' HA ' HD12 ' A' ' 570' ' ' ILE . 4.5 mmtt -62.02 -41.03 97.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -63.47 -36.5 83.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -64.92 -38.99 92.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 567' ' ' LYS . 20.9 mt -59.72 -38.86 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -33.46 76.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.5 mttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.555 0.217 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.449 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 68.3 p -41.42 164.01 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -74.99 -19.68 17.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.57 -39.19 74.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -62.86 -48.9 77.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.485 ' C ' ' ND1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER -67.08 -25.48 66.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -76.93 -0.86 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.651 ' CB ' HD12 ' A' ' 564' ' ' LEU . 3.1 mmpt? -63.63 -22.58 66.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.71 -32.39 72.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 542' ' ' MET . . . -57.0 -38.03 72.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 540' ' ' LEU . 2.1 tp -68.87 -39.16 79.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.606 HG21 ' HG3' ' A' ' 567' ' ' LYS . 10.1 mm -80.98 -21.91 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.596 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -58.4 -33.29 69.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.491 ' N ' ' HG2' ' A' ' 542' ' ' MET . 19.9 mt-30 -68.37 -48.22 65.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 17.9 t -71.44 -33.95 51.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.983 HD23 ' CD ' ' A' ' 546' ' ' GLN . 6.1 tp -54.46 -87.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.983 ' CD ' HD23 ' A' ' 545' ' ' LEU . 0.0 OUTLIER -104.46 -30.29 10.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.634 ' O ' HD23 ' A' ' 547' ' ' LEU . 2.3 tt 93.33 24.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 3.0 p -144.73 104.4 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' A' ' 553' ' ' ALA . . . -62.83 -15.89 56.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.45 -42.41 87.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -65.44 -45.48 83.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.807 HD11 HD22 ' A' ' 545' ' ' LEU . 0.6 OUTLIER -74.8 -26.16 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -60.6 -22.47 63.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.91 -10.88 59.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.74 140.03 67.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 174.68 12.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.6 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.02 128.86 11.8 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 558' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 0.7 OUTLIER 95.9 -22.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.81 -30.66 24.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.487 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 5.5 mtm180 -60.52 -58.2 9.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 564' ' ' LEU . 2.4 tt0 -38.86 -29.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 560' ' ' ARG . 7.8 t -44.57 -36.79 3.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.444 HD12 HD13 ' A' ' 545' ' ' LEU . 4.1 mm -61.83 -40.33 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.651 HD12 ' CB ' ' A' ' 537' ' ' LYS . 2.5 tt -62.96 -38.89 92.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 19.2 mm -65.16 -46.85 89.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.72 -35.01 79.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.612 ' HE2' HD12 ' A' ' 570' ' ' ILE . 0.1 OUTLIER -61.5 -36.81 81.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.08 -36.39 81.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -40.52 87.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.612 HD12 ' HE2' ' A' ' 567' ' ' LYS . 62.6 mt -59.54 -37.84 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -65.9 -36.52 83.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 4.5 mttm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.481 0.182 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.608 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.6 OUTLIER -90.8 -171.63 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.608 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -74.98 -16.33 20.31 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 111.025 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 533' ' ' GLN . . . . . 0.42 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.5 OUTLIER -70.37 -45.72 65.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 534' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 537' ' ' LYS . 19.6 t70 -65.07 -37.64 88.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -78.59 -25.97 45.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.609 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 536' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 28.9 tt0 -96.36 9.12 42.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.867 ' CB ' HD12 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -69.62 -22.77 63.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -68.12 -31.71 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -56.38 -36.7 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.894 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.8 OUTLIER -70.19 -33.24 71.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 537' ' ' LYS . 3.4 mt -93.63 -0.17 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.734 ' CE ' ' HB1' ' A' ' 549' ' ' ALA . 0.0 OUTLIER -65.56 -44.49 86.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.521 ' HB2' HD12 ' A' ' 547' ' ' LEU . 0.0 OUTLIER -70.33 -37.97 74.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 44.1 t -63.0 -32.81 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 545' ' ' LEU . 0.2 OUTLIER -61.54 -81.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.223 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.673 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 7.1 tm0? -105.27 -36.87 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.673 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 14.8 tp 103.35 15.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.698 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 55.2 m -129.74 -40.42 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.734 ' HB1' ' CE ' ' A' ' 542' ' ' MET . . . 84.47 -8.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.591 ' HB2' HG22 ' A' ' 548' ' ' THR . 2.1 t0 -60.27 -40.7 91.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 551' ' ' GLN . . . . . 0.48 ' NE2' ' HB3' ' A' ' 550' ' ' ASP . 20.4 mp0 -69.36 -45.14 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.653 HG21 ' HG3' ' A' ' 542' ' ' MET . 2.8 mm -68.36 -27.12 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.67 -22.97 64.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.4 mmm -91.48 -1.28 57.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.609 HD12 HD13 ' A' ' 552' ' ' ILE . 11.4 mt -92.43 146.74 33.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.13 13.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.32 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -67.31 -8.14 29.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.2 mt-30 -114.73 -36.99 4.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -46.36 -58.8 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.5 OUTLIER -56.7 -29.98 63.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.0 OUTLIER -47.96 -29.23 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 541' ' ' ILE . 0.1 OUTLIER -67.29 -37.45 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.867 HD12 ' CB ' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -59.99 -34.93 74.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 82.4 mt -72.36 -44.41 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -44.79 90.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.926 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.0 OUTLIER -68.42 -39.03 81.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.41 -36.01 79.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -65.94 -38.26 88.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.926 HD12 ' HA ' ' A' ' 567' ' ' LYS . 23.7 mt -59.13 -40.9 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.97 -32.39 73.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.516 0.198 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 531' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.87 175.65 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -15.17 21.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.93 -42.0 77.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.26 -37.77 78.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.239 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -26.38 66.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.571 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -84.38 7.35 19.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.642 ' O ' HD23 ' A' ' 540' ' ' LEU . 28.6 mmtt -66.47 -23.03 66.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -67.7 -33.66 75.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.453 ' O ' ' HE3' ' A' ' 542' ' ' MET . . . -58.52 -36.33 73.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 537' ' ' LYS . 0.4 OUTLIER -65.96 -33.47 75.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.52 HG21 ' HG3' ' A' ' 567' ' ' LYS . 5.2 mt -91.45 -17.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 538' ' ' ALA . 6.7 tmm? -58.95 -35.55 73.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -63.85 -48.9 74.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.34 -33.65 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.977 HD23 ' CD ' ' A' ' 546' ' ' GLN . 6.3 tp -55.27 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.977 ' CD ' HD23 ' A' ' 545' ' ' LEU . 0.0 OUTLIER -104.77 -31.37 9.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.605 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 1.4 tp 96.4 32.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 547' ' ' LEU . 3.0 p -155.4 132.58 10.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 553' ' ' ALA . . . -82.53 -24.1 34.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -60.96 -39.43 89.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -66.14 -44.29 84.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.549 HG23 HD12 ' A' ' 555' ' ' LEU . 0.4 OUTLIER -73.97 -29.14 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -61.25 -22.7 65.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -83.24 -5.96 59.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.549 HD12 HG23 ' A' ' 552' ' ' ILE . 87.9 mt -78.37 142.43 62.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 174.53 12.63 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.6 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.4 Cg_endo -74.98 128.8 11.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 558' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 1.2 tt0 94.22 -17.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.0 OUTLIER -88.07 -30.73 19.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.432 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 14.8 mtm180 -61.57 -62.06 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.464 ' OE1' HD22 ' A' ' 564' ' ' LEU . 0.1 OUTLIER -49.76 -22.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.482 ' HA ' HD12 ' A' ' 565' ' ' ILE . 1.4 t -51.71 -33.08 32.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.75 HD11 HD13 ' A' ' 545' ' ' LEU . 0.2 OUTLIER -63.81 -39.97 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 537' ' ' LYS . 2.6 tt -59.46 -34.15 72.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 562' ' ' SER . 44.3 mt -72.18 -45.8 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -34.78 78.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.52 ' HG3' HG21 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -61.17 -41.05 96.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.87 -34.09 75.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 569' ' ' GLN . . . . . 0.503 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 78.6 mt-30 -65.17 -38.96 92.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 567' ' ' LYS . 57.9 mt -59.7 -37.85 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.83 -43.38 93.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.52 0.2 . . . . 0.0 111.021 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.519 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 51.4 p -43.3 167.37 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.446 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.519 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.05 -13.22 21.37 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 533' ' ' GLN . . . . . 0.463 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.1 OUTLIER -71.25 -40.09 71.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 534' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 537' ' ' LYS . 17.5 t0 -65.63 -37.72 87.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -68.02 -26.31 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.564 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.34 9.35 18.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 534' ' ' ASP . 0.4 OUTLIER -68.83 -23.1 64.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -63.88 -30.83 71.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.53 ' HA ' ' CG ' ' A' ' 542' ' ' MET . . . -54.71 -33.89 61.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.962 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -65.6 -28.29 69.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.683 HD13 ' HB3' ' A' ' 567' ' ' LYS . 8.0 mt -111.75 8.05 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.55 ' CE ' ' NH1' ' A' ' 560' ' ' ARG . 6.1 mtt -66.95 -32.71 74.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.412 ' OE1' ' O ' ' A' ' 540' ' ' LEU . 2.8 mp0 -60.67 -41.08 94.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.7 -43.24 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 1.03 ' CD2' HD11 ' A' ' 552' ' ' ILE . 0.1 OUTLIER -95.74 24.05 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 109.348 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -92.44 -6.3 50.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER -37.98 -31.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.698 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 23.6 m -133.35 -51.92 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 85.78 -21.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 554' ' ' MET . 6.6 t0 -66.48 -37.97 86.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 551' ' ' GLN . . . . . 0.414 ' NE2' ' HB ' ' A' ' 548' ' ' THR . 0.0 OUTLIER -68.13 -45.66 73.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 1.03 HD11 ' CD2' ' A' ' 545' ' ' LEU . 9.4 mm -72.75 -41.92 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 549' ' ' ALA . . . -63.47 -39.02 93.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 550' ' ' ASP . 2.2 mmt -79.28 -8.55 59.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 552' ' ' ILE . 5.8 mt -81.27 148.87 64.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.4 Cg_endo -75.02 173.53 14.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.42 ' HA ' ' HG3' ' A' ' 560' ' ' ARG . 18.5 Cg_endo -74.97 -34.26 4.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.75 0.79 16.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 562' ' ' SER . 0.6 OUTLIER -121.17 -37.6 2.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.55 ' NH1' ' CE ' ' A' ' 542' ' ' MET . 0.6 OUTLIER -38.73 -55.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 564' ' ' LEU . 1.0 OUTLIER -61.62 -34.09 75.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 559' ' ' GLN . 1.5 t -45.15 -32.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.551 ' CG1' HD13 ' A' ' 545' ' ' LEU . 1.5 tp -61.95 -40.66 88.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.589 HD23 ' C ' ' A' ' 564' ' ' LEU . 0.9 OUTLIER -58.4 -36.6 73.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 74.1 mt -72.23 -45.32 62.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.47 -45.16 84.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.784 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.2 OUTLIER -68.92 -37.56 79.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 1.3 tt0 -62.34 -36.27 81.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -61.51 -40.39 94.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 567' ' ' LYS . 11.2 mt -60.11 -41.13 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 571' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 572' ' ' LYS . 1.4 mp0 -63.9 -43.23 96.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 572' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 571' ' ' GLN . 5.2 pttt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.422 ' SD ' ' HB2' ' A' ' 534' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.505 0.193 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.535 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 33.1 p -43.79 169.01 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.535 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.09 -13.15 21.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.17 -39.21 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 534' ' ' ASP . . . . . 0.422 ' HB2' ' SD ' ' A' ' 530' ' ' MET . 15.6 t70 -69.32 -39.11 78.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -27.13 66.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.641 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -84.26 6.86 21.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.739 ' O ' HD12 ' A' ' 541' ' ' ILE . 39.5 mmtt -65.61 -23.42 66.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.794 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -69.18 -33.61 73.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.442 ' HA ' ' SD ' ' A' ' 542' ' ' MET . . . -59.66 -37.62 79.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.968 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.3 OUTLIER -69.09 -35.54 76.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.782 HG22 HD12 ' A' ' 545' ' ' LEU . 3.5 mt -86.49 -19.81 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.875 ' SD ' ' HB2' ' A' ' 549' ' ' ALA . 0.0 OUTLIER -59.95 -33.64 72.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.483 ' N ' ' HG2' ' A' ' 542' ' ' MET . 15.0 mt-30 -63.71 -48.04 78.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.0 t -69.76 -33.93 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.782 HD12 HG22 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -54.75 -90.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.599 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.75 -26.48 12.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.359 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.599 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.4 OUTLIER 95.76 13.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.12 127.05 15.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.875 ' HB2' ' SD ' ' A' ' 542' ' ' MET . . . -79.87 1.75 25.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -66.47 -48.52 69.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 551' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 546' ' ' GLN . 1.6 mp0 -69.81 -40.69 75.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.1 mm -71.82 -29.86 35.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -61.96 -28.47 69.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.72 -6.12 56.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.28 150.22 42.68 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.4 Cg_endo -74.96 172.28 16.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -35.36 3.16 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -72.54 -3.0 21.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.7 OUTLIER -117.08 -36.87 3.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.794 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 1.2 mtm180 -45.01 -57.21 3.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 564' ' ' LEU . 2.0 tt0 -60.95 -27.75 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 2.4 t -44.69 -34.91 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.622 HD12 HD11 ' A' ' 545' ' ' LEU . 1.4 mm -62.04 -41.52 91.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.707 HD12 ' CB ' ' A' ' 537' ' ' LYS . 3.7 tt -61.45 -39.32 90.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 562' ' ' SER . 69.6 mt -64.56 -49.01 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -35.01 76.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.666 ' HG2' HG21 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -62.04 -36.49 81.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.49 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.78 -33.86 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 569' ' ' GLN . . . . . 0.49 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 51.3 mt-30 -60.58 -39.35 87.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.533 HD12 ' CE ' ' A' ' 567' ' ' LYS . 58.1 mt -61.65 -41.25 89.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.99 -42.42 94.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.481 0.181 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.414 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.2 OUTLIER -44.88 169.96 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -21.05 16.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -40.48 75.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 534' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 537' ' ' LYS . 0.5 OUTLIER -66.17 -37.96 86.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -67.66 -25.52 65.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.63 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -81.18 5.94 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.647 ' HB3' HD12 ' A' ' 564' ' ' LEU . 29.2 mttt -64.93 -23.42 67.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -64.51 -28.89 69.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -52.13 -33.29 39.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.979 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.7 OUTLIER -67.45 -30.35 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.771 HG21 ' HG3' ' A' ' 567' ' ' LYS . 2.0 mt -108.43 11.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.538 ' HB2' ' O ' ' A' ' 539' ' ' ALA . 0.0 OUTLIER -66.92 -43.08 84.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.79 91.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.15 -42.64 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 563' ' ' ILE . 0.6 OUTLIER -95.39 22.92 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 548' ' ' THR . 0.0 OUTLIER -93.6 -5.28 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 546' ' ' GLN . 0.7 OUTLIER -36.21 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.783 HG22 ' H ' ' A' ' 550' ' ' ASP . 1.1 m -133.4 -51.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 86.44 -28.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.783 ' H ' HG22 ' A' ' 548' ' ' THR . 1.2 t70 -60.42 -38.88 85.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 551' ' ' GLN . . . . . 0.53 ' O ' ' CD2' ' A' ' 555' ' ' LEU . 2.0 mp0 -67.01 -46.25 75.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.538 HG22 ' HD2' ' A' ' 560' ' ' ARG . 27.7 mm -69.85 -42.82 80.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.66 -21.45 62.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.413 ' CB ' ' O ' ' A' ' 550' ' ' ASP . 4.5 ttm -71.55 -23.13 61.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -99.3 159.3 30.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.1 Cg_endo -75.04 174.79 12.19 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.417 ' HA ' ' HG3' ' A' ' 560' ' ' ARG . 18.2 Cg_endo -75.01 -37.15 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -72.15 -2.15 17.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.459 ' HB2' ' HD2' ' A' ' 556' ' ' PRO . 1.1 mt-30 -117.55 -35.12 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.538 ' HD2' HG22 ' A' ' 552' ' ' ILE . 1.7 mtm180 -37.88 -50.55 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 564' ' ' LEU . 6.5 tt0 -39.71 -26.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 560' ' ' ARG . 2.9 m -45.35 -35.22 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.555 HD12 ' HG ' ' A' ' 545' ' ' LEU . 12.8 mm -61.26 -36.62 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 537' ' ' LYS . 2.8 tt -67.74 -39.47 84.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 16.3 mm -64.07 -46.89 92.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -34.74 78.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.771 ' HG3' HG21 ' A' ' 541' ' ' ILE . 0.2 OUTLIER -61.46 -41.15 96.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.81 -44.93 94.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -63.83 -39.14 93.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 57.3 mt -59.98 -40.62 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -41.83 97.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.977 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.538 0.208 . . . . 0.0 111.0 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.43 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.3 OUTLIER -44.44 169.17 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.398 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -75.0 -16.96 19.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.449 1.763 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -39.99 75.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -66.09 -39.61 90.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.0 -25.75 66.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -84.62 8.14 17.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -21.6 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -65.63 -33.07 75.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.478 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.17 -35.18 66.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.996 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.4 OUTLIER -61.65 -32.85 73.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.794 HD13 ' CE ' ' A' ' 567' ' ' LYS . 1.4 mp -96.91 -13.67 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.478 ' HB3' ' O ' ' A' ' 539' ' ' ALA . 3.0 tmm? -58.2 -40.68 82.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.437 ' HA ' ' CB ' ' A' ' 547' ' ' LEU . 0.2 OUTLIER -69.81 -37.71 76.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.35 -33.96 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.57 HD23 HG23 ' A' ' 541' ' ' ILE . 2.6 mm? -71.94 -100.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.444 ' HG3' ' NE2' ' A' ' 551' ' ' GLN . 0.0 OUTLIER -105.96 -29.57 9.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 543' ' ' GLN . 0.5 OUTLIER 72.7 96.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.729 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 52.7 m -159.05 -42.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.379 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.24 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -59.96 -38.07 81.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 551' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 554' ' ' MET . 1.2 mt-30 -63.49 -40.89 98.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.13 -27.97 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.41 90.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.461 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 10.4 ptm -76.77 -11.06 59.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.428 HD23 ' HG3' ' A' ' 554' ' ' MET . 0.4 OUTLIER -84.14 143.21 42.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.4 Cg_endo -75.02 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.43 3.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.66 -1.52 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.8 mt-30 -120.82 -38.02 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 2.0 ttp180 -47.08 -56.18 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.87 -23.93 67.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.1 t -46.53 -34.41 4.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.849 HG22 ' CD ' ' A' ' 567' ' ' LYS . 49.0 mm -63.08 -36.0 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 561' ' ' GLN . 3.4 tt -61.78 -39.35 91.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 562' ' ' SER . 19.9 mt -68.66 -49.33 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -28.6 66.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.849 ' CD ' HG22 ' A' ' 563' ' ' ILE . 0.9 OUTLIER -55.58 -41.53 73.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -62.58 -38.13 88.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -66.37 -39.04 88.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 72.0 mt -65.12 -41.65 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -43.31 89.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 7.6 mttp . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.96 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.515 0.197 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.587 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.6 OUTLIER -92.28 -172.56 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.659 ' HA ' ' CD2' ' A' ' 535' ' ' HIS . 18.3 Cg_endo -75.04 -18.32 18.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.563 1.823 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 533' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 537' ' ' LYS . 0.7 OUTLIER -70.23 -39.14 75.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -60.93 -47.18 87.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.659 ' CD2' ' HA ' ' A' ' 532' ' ' PRO . 0.0 OUTLIER -77.04 -38.25 53.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.579 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 536' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 30.2 tt0 -80.71 2.72 24.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.514 ' O ' HD12 ' A' ' 541' ' ' ILE . 0.6 OUTLIER -67.26 -22.29 65.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.675 ' HB3' ' HG3' ' A' ' 560' ' ' ARG . . . -67.36 -32.09 72.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.428 ' HA ' ' SD ' ' A' ' 542' ' ' MET . . . -56.69 -39.73 74.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.895 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.6 OUTLIER -69.12 -33.57 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.752 HG21 ' CG ' ' A' ' 567' ' ' LYS . 4.6 mt -86.17 -20.73 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.621 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -56.99 -32.14 65.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.5 ' N ' ' HG2' ' A' ' 542' ' ' MET . 12.0 mt-30 -63.45 -47.29 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.252 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.8 -32.28 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 1.045 HD23 ' OE1' ' A' ' 546' ' ' GLN . 8.3 tp -57.96 -91.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 1.045 ' OE1' HD23 ' A' ' 545' ' ' LEU . 3.0 pm0 -105.56 -19.9 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.646 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 7.9 tp 100.33 -62.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.446 ' O ' ' NE2' ' A' ' 546' ' ' GLN . 2.1 p -58.57 106.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.506 ' HB2' ' CE ' ' A' ' 542' ' ' MET . . . -60.69 -28.05 68.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -37.98 80.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 551' ' ' GLN . . . . . 0.496 ' O ' ' CG ' ' A' ' 554' ' ' MET . 5.5 mt-30 -61.74 -45.28 94.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.956 ' HA ' HD12 ' A' ' 555' ' ' LEU . 0.1 OUTLIER -75.09 -34.04 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.82 -22.84 64.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 0.0 OUTLIER -81.95 -6.46 59.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.956 HD12 ' HA ' ' A' ' 552' ' ' ILE . 6.7 mt -92.61 157.96 39.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.84 32.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.67 2.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.74 -11.94 30.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.9 mt-30 -104.47 -38.31 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.675 ' HG3' ' HB3' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -48.31 -65.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.67 -23.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.7 OUTLIER -63.21 -38.19 90.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.96 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.415 HD12 HH12 ' A' ' 560' ' ' ARG . 0.8 OUTLIER -61.69 -37.37 77.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.684 HD23 ' C ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.84 -38.9 92.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 82.4 mt -65.75 -47.28 86.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -33.43 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.752 ' CG ' HG21 ' A' ' 541' ' ' ILE . 1.6 mmtt -61.44 -48.79 79.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 8.3 pt-20 -65.52 -35.04 79.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 569' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.8 OUTLIER -62.3 -37.27 84.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 567' ' ' LYS . 64.4 mt -58.35 -35.47 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -60.41 -43.04 97.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 17.2 mttt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.52 0.2 . . . . 0.0 110.998 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.511 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 44.1 p -43.75 167.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -74.99 -14.08 21.26 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 533' ' ' GLN . . . . . 0.466 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.2 OUTLIER -71.21 -40.35 71.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 534' ' ' ASP . . . . . 0.532 ' OD1' ' NE2' ' A' ' 561' ' ' GLN . 10.7 t70 -66.67 -37.95 85.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -67.38 -25.93 66.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.84 5.53 21.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -65.54 -23.51 66.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.73 ' HB1' ' HB ' ' A' ' 563' ' ' ILE . . . -69.63 -33.03 72.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -56.8 -36.81 70.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 1.023 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.3 OUTLIER -58.03 -34.4 70.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.714 HG21 ' HG3' ' A' ' 567' ' ' LYS . 3.7 mt -93.88 -26.56 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.526 ' HE2' HG12 ' A' ' 552' ' ' ILE . 1.3 tpt -57.42 -31.57 66.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -60.09 -37.73 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.42 -32.37 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.9 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.1 OUTLIER -105.79 -34.92 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.934 ' O ' HG23 ' A' ' 548' ' ' THR . 0.0 OUTLIER 86.63 92.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.934 HG23 ' O ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -178.43 107.56 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.16 -23.44 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.57 -38.76 85.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 551' ' ' GLN . . . . . 0.468 ' HG3' ' CB ' ' A' ' 548' ' ' THR . 1.1 mt-30 -65.44 -39.87 92.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.526 HG12 ' HE2' ' A' ' 542' ' ' MET . 1.7 mm -74.73 -25.79 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.69 72.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.35 -7.45 59.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.497 HD12 HD13 ' A' ' 552' ' ' ILE . 12.1 mt -75.99 143.95 75.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.2 Cg_endo -75.03 174.44 12.78 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.578 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.01 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 558' ' ' GLU . . . . . 0.578 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 0.1 OUTLIER 92.19 -14.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.466 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.6 OUTLIER -91.49 -30.57 16.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 538' ' ' ALA . 10.8 mtm105 -60.44 -64.9 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.532 ' NE2' ' OD1' ' A' ' 534' ' ' ASP . 1.1 tt0 -58.58 -14.88 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.3 t -47.93 -36.78 12.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.73 ' HB ' ' HB1' ' A' ' 538' ' ' ALA . 1.5 mt -61.42 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.1 -33.52 73.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 12.4 mm -71.27 -46.77 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -34.76 78.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.714 ' HG3' HG21 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -61.42 -36.22 79.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.1 OUTLIER -61.1 -35.38 76.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 569' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.9 OUTLIER -66.57 -38.66 87.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.45 -34.7 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -64.41 -40.56 96.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.5 mttt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 179.992 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.405 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.506 0.193 . . . . 0.0 110.971 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.44 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 72.8 p -41.95 164.32 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.44 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.05 -16.61 20.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -39.51 73.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.75 -46.17 86.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.626 ' CE1' ' HG3' ' A' ' 558' ' ' GLU . 36.7 m170 -71.31 -25.81 62.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.548 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -81.76 2.93 27.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.484 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 4.0 mtpt -63.48 -22.87 67.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -66.58 -30.47 70.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -54.39 -32.91 58.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.5 tp -67.4 -31.26 71.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.902 HD13 ' HA ' ' A' ' 564' ' ' LEU . 3.0 mt -105.79 5.39 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 538' ' ' ALA . 13.0 mtp -66.51 -32.44 73.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -40.26 94.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.07 -42.92 76.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.992 HD22 HD11 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -95.28 21.63 7.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -87.33 -10.13 53.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 547' ' ' LEU . 1.8 tm? -39.92 -29.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.733 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 25.0 m -129.31 -53.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.363 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.49 -33.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 554' ' ' MET . 2.8 t0 -59.57 -38.03 80.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 551' ' ' GLN . . . . . 0.759 ' OE1' HD23 ' A' ' 545' ' ' LEU . 1.8 pt20 -61.74 -45.25 94.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.992 HD11 HD22 ' A' ' 545' ' ' LEU . 21.1 mm -74.94 -41.27 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -63.98 -22.63 67.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.465 ' CG ' ' O ' ' A' ' 550' ' ' ASP . 1.7 mmt -87.71 -5.15 58.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 552' ' ' ILE . 45.2 mt -83.67 140.55 41.08 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -75.02 175.26 11.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.424 1.749 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.0 127.52 10.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.79 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 558' ' ' GLU . . . . . 0.626 ' HG3' ' CE1' ' A' ' 535' ' ' HIS . 0.7 OUTLIER 93.66 -15.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.32 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.3 OUTLIER -91.96 -30.46 16.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -50.1 -58.47 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 564' ' ' LEU . 17.5 tt0 -39.4 -35.23 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.527 ' HA ' HD12 ' A' ' 565' ' ' ILE . 6.0 t -43.83 -34.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.499 HG13 HD13 ' A' ' 545' ' ' LEU . 1.7 tp -62.15 -41.63 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.902 ' HA ' HD13 ' A' ' 541' ' ' ILE . 0.7 OUTLIER -58.46 -39.37 79.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 562' ' ' SER . 14.2 mt -66.72 -45.57 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.16 -44.35 84.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.939 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.0 OUTLIER -68.96 -36.69 78.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.41 -40.67 97.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.22 -39.11 91.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.939 HD12 ' HA ' ' A' ' 567' ' ' LYS . 14.9 mt -59.87 -38.26 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -62.02 -37.35 84.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.0 mttt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.949 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.474 ' CG ' ' HB3' ' A' ' 534' ' ' ASP . 12.8 ttp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.49 0.186 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.463 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 28.7 p -48.4 166.33 0.22 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -74.99 -15.65 20.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -70.15 -40.05 74.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 534' ' ' ASP . . . . . 0.474 ' HB3' ' CG ' ' A' ' 530' ' ' MET . 54.7 t0 -60.38 -36.96 79.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 535' ' ' HIS . 2.0 m170 -67.1 -27.49 67.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -77.69 1.07 21.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.711 ' HB3' HD12 ' A' ' 564' ' ' LEU . 33.9 mmtt -65.7 -22.79 66.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.549 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -69.82 -32.92 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -56.14 -35.01 66.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.959 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -66.71 -31.35 71.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.794 HG21 ' CG ' ' A' ' 567' ' ' LYS . 2.8 mt -96.33 -12.84 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.575 ' SD ' ' NE2' ' A' ' 546' ' ' GLN . 30.6 mmm -57.88 -35.36 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.504 ' HA ' ' CB ' ' A' ' 547' ' ' LEU . 1.2 pt20 -63.35 -39.09 93.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 36.3 t -63.17 -32.17 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -78.52 -96.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.575 ' NE2' ' SD ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -106.41 -34.68 7.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 547' ' ' LEU . 0.2 OUTLIER 80.85 94.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 6.5 m -163.97 -53.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 85.44 -40.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' A' ' 553' ' ' ALA . 4.4 t0 -59.25 -36.67 75.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -61.31 -37.32 82.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.262 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.658 HD13 HD12 ' A' ' 555' ' ' LEU . 1.1 mm -63.34 -27.73 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 550' ' ' ASP . . . -59.15 -22.52 61.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.1 mmt -91.07 2.1 56.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.658 HD12 HD13 ' A' ' 552' ' ' ILE . 16.0 mt -112.39 149.82 41.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -43.0 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.806 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -62.59 -12.78 25.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.4 mt-30 -109.32 -33.19 6.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.541 ' CG ' HG23 ' A' ' 552' ' ' ILE . 1.9 ttp180 -55.53 -70.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.872 ' OE1' HD22 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -53.34 -19.52 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.1 t -50.8 -35.73 33.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.565 HG22 HD13 ' A' ' 541' ' ' ILE . 8.1 mt -61.86 -37.6 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.872 HD22 ' OE1' ' A' ' 561' ' ' GLN . 6.2 tt -68.12 -40.52 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 37.6 mt -62.65 -48.79 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.86 -34.84 77.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.794 ' CG ' HG21 ' A' ' 541' ' ' ILE . 4.9 mmtt -62.38 -37.67 86.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.95 -38.89 92.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -67.07 -39.34 86.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 567' ' ' LYS . 58.9 mt -60.33 -39.61 81.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.76 -43.17 89.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.1 mttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.986 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.476 0.179 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.405 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.0 OUTLIER -46.26 172.64 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.03 -13.26 21.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 533' ' ' GLN . . . . . 0.412 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 1.0 OUTLIER -69.65 -40.23 76.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.98 -37.59 86.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -72.73 -28.26 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -83.0 5.0 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.651 ' HB3' HD12 ' A' ' 564' ' ' LEU . 5.4 mmtp -63.99 -23.33 67.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.865 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -65.95 -34.43 78.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.486 ' O ' ' OE1' ' A' ' 543' ' ' GLN . . . -63.15 -33.24 75.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.987 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -64.48 -30.15 71.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.543 ' CG2' ' O ' ' A' ' 541' ' ' ILE . 0.4 OUTLIER -108.98 3.53 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.654 ' CE ' ' HB2' ' A' ' 549' ' ' ALA . 6.0 tmm? -66.53 -31.26 71.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.3 OUTLIER -60.62 -47.7 85.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.945 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.41 -34.05 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.944 ' CD2' HD11 ' A' ' 563' ' ' ILE . 0.2 OUTLIER -54.37 -88.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.799 ' HG3' HD12 ' A' ' 545' ' ' LEU . 0.0 OUTLIER -107.56 -26.34 10.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 547' ' ' LEU . 1.5 tt 96.67 22.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 542' ' ' MET . 7.4 m -152.43 144.83 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.435 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.654 ' HB2' ' CE ' ' A' ' 542' ' ' MET . . . -88.98 -24.1 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.33 -39.03 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -68.72 -39.46 80.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.755 HD13 HD12 ' A' ' 555' ' ' LEU . 1.9 mm -70.67 -27.73 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.59 -22.86 64.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.47 -8.81 59.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.755 HD12 HD13 ' A' ' 552' ' ' ILE . 45.7 mt -100.08 146.68 32.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.1 Cg_endo -74.98 173.53 14.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.24 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -66.15 -8.87 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.7 OUTLIER -112.8 -38.66 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.865 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -45.04 -59.42 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.593 ' OE1' HD22 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -57.27 -35.56 69.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -45.09 -34.0 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.947 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.944 HD11 ' CD2' ' A' ' 545' ' ' LEU . 1.8 tt -63.82 -44.1 98.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.651 HD12 ' HB3' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -57.21 -34.42 68.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.14 -46.58 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.48 -44.89 81.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' A' ' 570' ' ' ILE . 2.5 mptt -67.07 -35.03 78.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 1.5 mm-40 -61.15 -36.45 79.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -61.49 -40.82 95.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 567' ' ' LYS . 43.6 mt -60.05 -41.49 86.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.77 -32.02 73.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 28.3 mttt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.977 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.466 0.174 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.432 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.0 OUTLIER -46.46 171.79 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.404 179.951 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.432 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.5 Cg_endo -74.94 -13.16 21.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 533' ' ' GLN . . . . . 0.416 ' CD ' ' C ' ' A' ' 533' ' ' GLN . 0.6 OUTLIER -69.79 -46.73 65.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 534' ' ' ASP . . . . . 0.492 ' OD2' ' NE2' ' A' ' 561' ' ' GLN . 33.6 t70 -60.54 -39.01 86.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -67.47 -27.03 66.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.588 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -83.11 6.31 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -64.56 -23.4 67.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.67 -32.33 72.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.454 ' HA ' ' SD ' ' A' ' 542' ' ' MET . . . -56.74 -37.68 71.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.876 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.6 OUTLIER -70.57 -33.13 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.546 HD13 ' HA ' ' A' ' 564' ' ' LEU . 6.3 mt -90.46 -9.73 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.593 ' N ' ' O ' ' A' ' 538' ' ' ALA . 1.9 ptt? -66.76 -34.37 77.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.512 ' N ' ' HG2' ' A' ' 542' ' ' MET . 5.8 mt-30 -64.17 -39.5 94.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.9 t -63.36 -32.57 57.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.741 ' HG ' HD11 ' A' ' 563' ' ' ILE . 0.2 OUTLIER -73.76 -97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.444 ' H ' ' NE2' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -106.08 -36.19 7.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 547' ' ' LEU . 0.2 OUTLIER 76.96 98.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 548' ' ' THR . . . . . 0.715 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 47.5 p -157.47 -46.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 86.02 -44.2 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 553' ' ' ALA . 5.6 t0 -63.72 -39.21 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -64.29 -38.79 92.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.723 HG22 ' HD2' ' A' ' 560' ' ' ARG . 12.4 mm -63.85 -26.76 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 550' ' ' ASP . . . -68.16 -22.54 64.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 2.8 mmt -83.74 -8.53 59.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 555' ' ' LEU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 12.0 mt -74.79 143.15 77.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -75.02 175.01 11.81 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.811 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.504 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.5 Cg_endo -74.96 130.06 12.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 558' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 2.0 mt-10 87.02 -13.15 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 110.356 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.1 OUTLIER -91.6 -30.05 16.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.723 ' HD2' HG22 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -56.26 -60.43 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.492 ' NE2' ' OD2' ' A' ' 534' ' ' ASP . 1.3 tt0 -60.13 -18.6 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 2.7 t -48.7 -35.85 14.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.741 HD11 ' HG ' ' A' ' 545' ' ' LEU . 0.1 OUTLIER -62.18 -42.38 94.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.546 ' HA ' HD13 ' A' ' 541' ' ' ILE . 2.1 tt -59.71 -34.59 73.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 15.0 mm -70.13 -46.08 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -35.46 80.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.765 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.0 OUTLIER -68.67 -45.85 70.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.52 -35.36 77.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 569' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 10.5 mt-30 -63.21 -38.61 91.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 567' ' ' LYS . 30.4 mt -59.37 -41.89 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 571' ' ' GLN . . . . . 0.406 ' OE1' ' CA ' ' A' ' 571' ' ' GLN . 0.9 OUTLIER -64.86 -38.51 91.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.978 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.415 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.538 0.208 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.469 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 70.6 p -41.96 164.88 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.03 -20.18 17.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -39.38 74.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -66.91 -37.19 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -72.56 -25.97 61.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.629 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.57 7.2 46.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.891 ' HB3' HD12 ' A' ' 564' ' ' LEU . 0.5 OUTLIER -70.03 -22.53 63.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.02 -31.12 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.616 ' HB2' HH22 ' A' ' 560' ' ' ARG . . . -53.9 -37.05 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.11 -32.78 70.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.722 HG21 ' CG ' ' A' ' 567' ' ' LYS . 7.2 mm -90.14 -10.24 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.586 ' SD ' HG21 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -60.72 -41.52 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.536 ' O ' ' HA ' ' A' ' 547' ' ' LEU . 2.6 mt-30 -67.13 -47.44 71.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 22.2 t -69.63 -34.77 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 546' ' ' GLN . 3.1 tm? -45.97 -84.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.717 ' N ' HD13 ' A' ' 545' ' ' LEU . 7.3 tm0? -104.49 -38.87 6.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.67 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 5.1 tp 149.2 -20.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 19.7 p -147.17 157.0 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 542' ' ' MET . . . -86.13 -5.43 59.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.494 ' O ' ' HB3' ' A' ' 553' ' ' ALA . 2.6 t0 -62.58 -42.95 99.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -44.54 86.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.602 HD11 ' HG ' ' A' ' 545' ' ' LEU . 1.3 mm -74.45 -22.42 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 550' ' ' ASP . . . -54.27 -21.46 9.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -15.28 60.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.55 152.26 43.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.491 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.1 Cg_endo -75.08 171.76 17.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.03 3.38 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -73.33 -1.88 19.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.8 mt-30 -119.36 -36.33 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.616 HH22 ' HB2' ' A' ' 539' ' ' ALA . 3.0 mtm180 -40.98 -55.01 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 564' ' ' LEU . 5.1 tt0 -46.45 -30.12 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 76.9 p -42.08 -42.06 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.082 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 13.4 mm -59.16 -42.64 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.891 HD12 ' HB3' ' A' ' 537' ' ' LYS . 0.9 OUTLIER -61.6 -39.2 90.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.41 ' N ' HD23 ' A' ' 564' ' ' LEU . 72.4 mt -65.63 -47.42 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -34.54 78.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.795 ' HE2' HD12 ' A' ' 570' ' ' ILE . 2.4 mmtt -61.21 -36.9 81.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.38 -36.29 81.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -67.3 -39.01 85.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 570' ' ' ILE . . . . . 0.795 HD12 ' HE2' ' A' ' 567' ' ' LYS . 66.0 mt -59.76 -41.72 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.98 -39.99 94.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 35.2 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.962 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 530' ' ' MET . . . . . 0.418 ' HB3' ' CE1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.491 0.186 . . . . 0.0 111.048 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 531' ' ' THR . . . . . 0.464 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 73.2 p -41.83 164.59 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.406 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 532' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -18.77 18.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.56 -39.26 74.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -67.91 -39.23 83.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.418 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 13.3 m-70 -67.36 -26.73 66.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.63 9.65 15.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 537' ' ' LYS . . . . . 0.48 ' HB2' HD12 ' A' ' 564' ' ' LEU . 2.6 mmtp -68.99 -25.05 64.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.838 ' HB1' ' HB ' ' A' ' 563' ' ' ILE . . . -70.92 -31.27 67.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 539' ' ' ALA . . . . . 0.594 ' O ' ' HE2' ' A' ' 542' ' ' MET . . . -55.55 -36.13 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 540' ' ' LEU . . . . . 0.442 HD23 HD12 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -67.59 -36.04 80.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.61 HD13 ' HG3' ' A' ' 567' ' ' LYS . 1.9 mt -85.85 -25.2 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 542' ' ' MET . . . . . 0.595 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -56.66 -32.02 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 543' ' ' GLN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 547' ' ' LEU . 20.7 mt-30 -60.91 -41.04 95.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.82 -29.5 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.793 HD22 ' OE1' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -68.75 -78.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 546' ' ' GLN . . . . . 0.793 ' OE1' HD22 ' A' ' 545' ' ' LEU . 3.1 mp0 -101.72 -37.14 8.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.6 OUTLIER 96.59 16.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 3.0 m -143.59 140.06 29.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.438 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 549' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 553' ' ' ALA . . . -88.81 0.82 56.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -64.98 -48.45 73.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 551' ' ' GLN . . . . . 0.421 ' NE2' ' CB ' ' A' ' 546' ' ' GLN . 1.1 mp0 -70.01 -39.17 76.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 542' ' ' MET . 0.9 OUTLIER -70.42 -30.21 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -60.1 -22.77 63.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -4.2 53.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 9.7 mt -92.49 146.9 33.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -74.97 173.07 15.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.39 2.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.779 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -71.73 -3.7 23.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.7 mt-30 -116.64 -37.74 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 560' ' ' ARG . . . . . 0.524 ' O ' ' CB ' ' A' ' 538' ' ' ALA . 2.7 ttp180 -51.79 -62.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 561' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 564' ' ' LEU . 1.6 tt0 -56.34 -26.37 52.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.23 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 562' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.7 t -44.31 -35.47 2.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 563' ' ' ILE . . . . . 0.838 ' HB ' ' HB1' ' A' ' 538' ' ' ALA . 0.5 OUTLIER -61.59 -41.18 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 561' ' ' GLN . 2.0 tt -60.48 -35.42 75.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 15.4 mm -69.01 -46.16 79.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.48 -31.81 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.61 ' HG3' HD13 ' A' ' 541' ' ' ILE . 2.5 mmtt -59.91 -49.0 79.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 6.6 pt-20 -66.48 -34.55 78.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.243 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 569' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -64.98 -37.09 86.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 70.8 mt -57.96 -41.68 80.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 571' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 567' ' ' LYS . 1.3 mp0 -60.56 -40.75 92.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -37.68 111.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 111.014 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 71.6 p -41.7 164.52 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.355 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.06 -18.42 18.61 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.565 1.823 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.56 -39.2 74.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.45 -39.32 88.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 557' ' ' PRO . 16.7 m-70 -67.29 -25.74 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -82.2 5.22 20.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.65 ' HB3' HD12 ' A' ' 564' ' ' LEU . 5.1 mmpt? -69.62 -22.35 63.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -69.87 -32.53 70.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.21 -36.73 68.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.4 tp -64.1 -32.71 74.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 1.029 HG22 ' CD1' ' A' ' 545' ' ' LEU . 2.9 mt -99.25 -6.54 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.577 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -65.57 -38.42 89.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.426 ' HA ' ' CE ' ' A' ' 542' ' ' MET . 2.3 mt-30 -65.43 -46.92 78.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.6 t -70.5 -34.09 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 1.029 ' CD1' HG22 ' A' ' 541' ' ' ILE . 2.6 mp -53.56 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.688 ' O ' HD23 ' A' ' 547' ' ' LEU . 0.4 OUTLIER -105.51 -27.38 11.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.802 ' O ' HG23 ' A' ' 548' ' ' THR . 0.2 OUTLIER 91.87 37.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.802 HG23 ' O ' ' A' ' 547' ' ' LEU . 1.1 p -162.89 116.63 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.537 ' HB2' ' SD ' ' A' ' 542' ' ' MET . . . -69.82 -22.64 63.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -39.52 91.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -69.11 -42.13 76.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.579 HD11 HD22 ' A' ' 545' ' ' LEU . 0.9 OUTLIER -74.35 -27.54 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -60.76 -29.29 69.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -8.0 55.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 24.2 mt -91.29 150.07 40.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.511 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.3 Cg_endo -75.01 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.534 1.808 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 535' ' ' HIS . 18.3 Cg_endo -75.02 -35.39 3.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -73.05 -2.09 19.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -118.36 -36.13 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.648 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.9 OUTLIER -45.63 -60.03 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -58.29 -27.77 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.6 t -46.93 -34.1 5.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.694 HD12 HD21 ' A' ' 545' ' ' LEU . 40.9 mm -62.14 -36.48 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 537' ' ' LYS . 3.1 tt -67.47 -39.93 85.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.76 -47.55 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -34.99 78.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.748 ' HG3' HG21 ' A' ' 541' ' ' ILE . 1.6 mmtt -61.93 -36.71 82.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.11 -36.62 82.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -62.33 -40.74 97.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.649 HD12 ' HE2' ' A' ' 567' ' ' LYS . 83.2 mt -60.01 -35.28 60.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -64.1 -34.01 77.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 8.6 mttt 59.8 99.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 7.7 t -165.35 -57.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 16.9 m 54.29 104.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 173.69 62.83 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -114.61 154.6 46.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.317 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 0.0 110.971 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.68 118.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.6 OUTLIER -43.67 167.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -74.99 -19.71 17.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -40.07 75.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.38 -40.15 89.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -77.22 -34.18 56.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.547 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.57 8.87 31.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.64 ' CB ' HD12 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -69.53 -23.21 63.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -66.75 -32.98 74.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.22 -36.42 70.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.531 HD23 ' CD1' ' A' ' 541' ' ' ILE . 0.0 OUTLIER -68.54 -32.27 72.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.675 ' O ' HD23 ' A' ' 545' ' ' LEU . 2.9 mp -101.5 9.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.586 ' CE ' ' HB2' ' A' ' 549' ' ' ALA . 2.4 tmm? -66.71 -43.59 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -62.84 -38.85 92.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 544' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 544' ' ' VAL . 3.1 t -67.92 -33.53 61.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 541' ' ' ILE . 1.9 mm? -55.55 -93.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.74 -18.75 14.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.562 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 93.24 31.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.423 ' OG1' ' C ' ' A' ' 547' ' ' LEU . 2.1 m -154.7 138.76 16.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.586 ' HB2' ' CE ' ' A' ' 542' ' ' MET . . . -84.73 -28.66 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.36 -39.32 90.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -64.61 -40.74 96.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.66 ' HA ' HD12 ' A' ' 555' ' ' LEU . 0.7 OUTLIER -72.29 -32.8 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.33 -22.83 65.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 77.4 mtp -80.24 -10.29 59.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 552' ' ' ILE . 2.4 mt -99.3 151.17 37.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 174.15 13.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -40.41 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.31 -9.07 29.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.8 OUTLIER -109.7 -34.69 6.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -52.84 -59.46 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.263 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -51.89 -28.64 16.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.3 t -45.2 -35.57 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.628 HG12 HD21 ' A' ' 545' ' ' LEU . 8.5 mt -62.22 -40.46 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.64 HD12 ' CB ' ' A' ' 537' ' ' LYS . 2.3 tt -62.02 -38.69 89.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.453 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 18.8 mm -65.57 -47.47 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -33.95 74.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.586 ' HG3' HD13 ' A' ' 541' ' ' ILE . 5.8 mmtt -61.11 -48.01 83.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 10.6 pt-20 -67.93 -35.75 78.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 569' ' ' GLN . . . . . 0.426 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.5 OUTLIER -62.91 -38.23 90.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 567' ' ' LYS . 24.8 mt -59.09 -38.08 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -60.47 -42.57 96.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.96 67.85 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 4.4 t -148.31 85.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 23.5 m 46.99 81.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.366 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -81.58 163.89 44.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -130.15 85.08 58.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.506 1.792 . . . . 0.0 111.026 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 529' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 529' ' ' HIS . 22.0 p-80 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.408 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -37.74 122.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.42 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.3 OUTLIER -44.35 169.16 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -75.02 -19.59 17.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 533' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 536' ' ' GLU . 0.6 OUTLIER -69.67 -39.48 76.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.44 -35.98 82.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -77.26 -29.69 54.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 536' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 536' ' ' GLU . 0.4 OUTLIER -83.59 5.0 25.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.728 ' CB ' HD12 ' A' ' 564' ' ' LEU . 1.1 mmpt? -64.23 -23.08 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -68.15 -33.64 74.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.98 -38.24 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 540' ' ' LEU . 2.2 tp -68.22 -33.43 74.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.661 HG23 ' HE3' ' A' ' 567' ' ' LYS . 3.1 mt -92.92 -2.67 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.598 ' SD ' ' HB2' ' A' ' 549' ' ' ALA . 2.9 ttp -66.08 -37.18 85.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.708 ' CB ' HD12 ' A' ' 547' ' ' LEU . 1.2 pt20 -63.91 -40.42 96.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.12 -31.98 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 541' ' ' ILE . 0.7 OUTLIER -71.28 -100.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.438 ' CD ' ' NE2' ' A' ' 551' ' ' GLN . 0.0 OUTLIER -106.07 -25.21 12.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.708 HD12 ' CB ' ' A' ' 543' ' ' GLN . 0.5 OUTLIER 67.92 61.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.874 HG22 ' H ' ' A' ' 550' ' ' ASP . 1.5 m -136.92 -48.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 86.44 -20.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.874 ' H ' HG22 ' A' ' 548' ' ' THR . 20.3 t0 -65.76 -46.29 79.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 551' ' ' GLN . . . . . 0.466 ' NE2' ' HB ' ' A' ' 548' ' ' THR . 0.0 OUTLIER -68.7 -39.31 80.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.743 ' HA ' HD12 ' A' ' 555' ' ' LEU . 1.1 mm -74.81 -28.16 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -64.24 -38.52 91.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 10.6 ptp -81.06 -3.17 50.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 552' ' ' ILE . 36.9 mt -86.97 148.01 44.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.56 14.31 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -40.43 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.62 -8.26 26.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.5 OUTLIER -110.35 -38.69 5.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -50.38 -62.96 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 564' ' ' LEU . 4.7 tt0 -56.56 -26.9 56.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -46.27 -35.95 5.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.554 ' CD1' HD11 ' A' ' 552' ' ' ILE . 3.1 mt -62.2 -39.36 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.728 HD12 ' CB ' ' A' ' 537' ' ' LYS . 2.9 tt -64.33 -39.46 93.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 15.9 mm -65.49 -47.94 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -33.97 75.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.661 ' HE3' HG23 ' A' ' 541' ' ' ILE . 8.6 mmtt -60.8 -37.29 81.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -62.15 -36.57 82.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.294 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -62.96 -39.07 93.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 567' ' ' LYS . 62.8 mt -61.77 -40.53 87.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.85 -41.53 95.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -88.18 69.99 9.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 1.4 t -128.74 111.44 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.012 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 18.3 m -56.68 -56.89 15.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -65.34 -150.84 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -106.81 114.36 61.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 529' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 530' ' ' MET . 4.2 t-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 529' ' ' HIS . 0.0 OUTLIER -37.18 111.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.505 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 44.4 p -43.49 167.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.505 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.05 -13.36 21.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 110.959 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 533' ' ' GLN . . . . . 0.464 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.3 OUTLIER -70.87 -40.09 72.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.29 -37.18 86.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -68.56 -25.89 65.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -83.92 6.15 22.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 18.0 mtpt -64.06 -24.51 67.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.843 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -70.3 -33.36 71.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.32 -35.83 70.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.94 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -64.21 -32.67 74.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.763 HD13 ' HA ' ' A' ' 564' ' ' LEU . 2.3 mt -98.08 -6.85 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 538' ' ' ALA . 2.6 tmm? -65.64 -43.01 90.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -67.95 -37.38 81.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.8 -33.59 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 567' ' ' LYS . 41.1 tp -73.12 -101.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.495 ' CD ' ' N ' ' A' ' 547' ' ' LEU . 1.7 pp0? -107.62 -30.3 8.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 0.2 OUTLIER 76.36 105.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.694 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 18.5 m -163.06 -47.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 83.96 -45.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -37.94 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 551' ' ' GLN . . . . . 0.477 ' HG3' HG21 ' A' ' 548' ' ' THR . 46.7 mt-30 -68.24 -39.09 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.775 HD13 HD12 ' A' ' 555' ' ' LEU . 7.2 mm -67.5 -31.17 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.51 67.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 2.6 mmm -78.36 -8.62 58.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.775 HD12 HD13 ' A' ' 552' ' ' ILE . 31.7 mt -99.08 147.31 33.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 174.15 13.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -40.67 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.73 -9.48 28.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -111.55 -36.92 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.843 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 1.1 ttp180 -46.7 -60.62 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.587 ' OE1' HD22 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -63.56 -30.78 71.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 562' ' ' SER . . . . . . . . . . . . . 3.1 t -51.49 -34.5 36.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.1 tt -62.31 -41.44 91.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.763 ' HA ' HD13 ' A' ' 541' ' ' ILE . 1.1 tt -58.43 -34.32 70.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 82.8 mt -72.35 -45.82 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -44.84 82.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.808 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.1 OUTLIER -67.32 -35.67 79.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 6.3 mm-40 -60.85 -36.23 78.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.3 -38.52 91.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 567' ' ' LYS . 26.3 mt -59.52 -41.94 86.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.0 -34.69 78.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 52.9 85.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.63 164.9 18.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 4.2 m -139.54 94.32 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.357 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 163.84 -131.89 2.58 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -109.77 157.13 38.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 529' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 530' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.411 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -37.64 111.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.452 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 73.2 p -41.9 164.54 0.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.0 -18.77 18.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.48 -39.29 74.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.99 -37.24 83.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.407 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 1.7 m-70 -74.65 -26.92 60.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.58 9.22 30.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.471 ' CG ' HD12 ' A' ' 564' ' ' LEU . 13.7 tttt -70.11 -22.97 62.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -62.44 -33.56 75.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -57.74 -37.24 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.671 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.9 tp -68.7 -33.36 73.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.85 HG22 HD23 ' A' ' 545' ' ' LEU . 7.0 mm -87.08 -19.37 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.532 ' N ' ' O ' ' A' ' 538' ' ' ALA . 7.5 mtt -58.08 -35.54 71.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -63.85 -48.32 77.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.69 -34.69 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.85 HD23 HG22 ' A' ' 541' ' ' ILE . 0.7 OUTLIER -53.17 -87.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.642 ' O ' HD23 ' A' ' 547' ' ' LEU . 3.0 pm0 -103.86 -32.03 9.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 547' ' ' LEU . 0.3 OUTLIER 88.45 42.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.73 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 3.8 m -147.07 -48.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 88.56 -33.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.599 ' H ' HG22 ' A' ' 548' ' ' THR . 12.0 t0 -59.99 -39.29 85.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -64.59 -43.58 93.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.494 ' HA ' HD12 ' A' ' 555' ' ' LEU . 0.3 OUTLIER -74.77 -25.79 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.59 61.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 7.2 mtp -77.88 -11.53 59.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 552' ' ' ILE . 15.8 mt -86.32 155.27 57.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.08 13.4 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -41.98 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -64.98 -10.03 26.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.556 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.2 mt-30 -106.39 -34.59 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.664 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.8 OUTLIER -43.77 -57.63 3.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 564' ' ' LEU . 2.6 tt0 -57.99 -29.66 65.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.9 t -47.24 -35.34 7.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.011 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 27.2 mm -62.74 -36.75 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 564' ' ' LEU . 0.9 OUTLIER -67.2 -39.55 86.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.409 ' N ' HD23 ' A' ' 564' ' ' LEU . 16.4 mm -64.06 -47.41 90.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -34.39 76.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.724 ' HE2' HD12 ' A' ' 570' ' ' ILE . 1.9 mmtt -61.41 -42.14 98.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.86 -35.42 78.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 569' ' ' GLN . . . . . 0.459 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -64.45 -39.04 93.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.724 HD12 ' HE2' ' A' ' 567' ' ' LYS . 96.4 mt -59.71 -40.97 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -60.61 -34.38 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt 61.11 174.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.41 157.84 24.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 88.9 m 66.07 89.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 153.24 -76.93 0.22 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.108 . . . . 0.0 111.044 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.706 ' HB3' ' HD3' ' A' ' 577' ' ' PRO . . . -71.27 -50.07 11.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 577' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 576' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -38.88 121.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 111.02 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.2 OUTLIER -44.5 169.27 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.421 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -74.94 -18.9 18.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -40.14 76.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 534' ' ' ASP . . . . . 0.403 ' OD2' ' CD ' ' A' ' 561' ' ' GLN . 4.1 t70 -67.01 -37.03 83.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -75.14 -39.75 60.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -83.08 5.51 22.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.434 ' CG ' HD12 ' A' ' 564' ' ' LEU . 0.4 OUTLIER -64.9 -23.26 67.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.961 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -63.1 -33.26 75.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.52 -38.65 72.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 2.8 tp -68.55 -33.35 73.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.819 HG22 HD23 ' A' ' 545' ' ' LEU . 2.2 mt -95.59 9.33 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.784 ' SD ' ' HB2' ' A' ' 549' ' ' ALA . 1.1 ttp -66.01 -45.54 81.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -38.74 70.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.97 -32.96 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.819 HD23 HG22 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -73.83 -101.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.497 ' OE1' ' CB ' ' A' ' 548' ' ' THR . 0.3 OUTLIER -107.25 -23.06 12.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.544 HD23 ' HE3' ' A' ' 542' ' ' MET . 0.9 OUTLIER 72.39 92.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.672 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 68.0 m -157.01 -47.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.784 ' HB2' ' SD ' ' A' ' 542' ' ' MET . . . 83.68 -45.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.2 -38.69 80.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 551' ' ' GLN . . . . . 0.42 ' HG3' HG21 ' A' ' 548' ' ' THR . 38.3 mt-30 -69.11 -39.22 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.745 ' HA ' HD12 ' A' ' 555' ' ' LEU . 3.6 mm -74.65 -27.8 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -74.92 -39.49 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 551' ' ' GLN . 5.5 ppp? -86.14 -5.7 59.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 552' ' ' ILE . 3.5 mt -72.76 153.38 91.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -74.95 173.79 13.89 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -32.84 4.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.546 1.814 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.63 0.03 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.408 ' HA ' ' OG ' ' A' ' 562' ' ' SER . 2.1 mt-30 -119.47 -40.54 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.961 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 1.1 mmm180 -44.8 -56.49 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.1 OUTLIER -76.36 -32.56 58.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.408 ' OG ' ' HA ' ' A' ' 559' ' ' GLN . 19.4 p -44.85 -38.33 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.6 mm -59.84 -40.43 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.538 HD23 ' C ' ' A' ' 564' ' ' LEU . 2.5 tt -64.29 -39.9 94.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.172 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.42 -47.47 91.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -35.19 78.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.764 ' HG3' HG21 ' A' ' 541' ' ' ILE . 1.4 mmtt -65.72 -36.96 85.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.96 -41.87 99.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -66.86 -40.78 87.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.09 -36.89 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.22 -31.99 73.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.235 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 572' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 574' ' ' THR . 38.0 tttt -81.43 57.56 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 573' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 575' ' ' GLY . 1.9 t 63.67 -77.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 574' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 572' ' ' LYS . 1.4 m 63.53 -77.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 575' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 573' ' ' SER . . . 170.21 -118.13 0.74 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -148.68 93.79 4.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.723 ' C ' HG23 ' A' ' 531' ' ' THR . 0.0 OUTLIER -86.79 72.57 10.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.723 HG23 ' C ' ' A' ' 530' ' ' MET . 0.5 OUTLIER 63.07 -173.71 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.06 -16.62 19.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -70.04 -40.01 75.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 534' ' ' ASP . . . . . 0.475 ' CG ' HE21 ' A' ' 561' ' ' GLN . 25.4 t0 -60.35 -37.83 81.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' A' ' 557' ' ' PRO . 93.6 m-70 -80.02 -24.91 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.645 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.83 -4.84 51.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.475 ' HB3' HD12 ' A' ' 564' ' ' LEU . 17.4 mmtt -63.86 -22.86 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.732 ' HB3' ' HG2' ' A' ' 560' ' ' ARG . . . -70.6 -32.96 70.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -53.79 -36.44 62.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.837 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.2 tp -67.95 -31.37 71.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.545 HD12 ' HD2' ' A' ' 567' ' ' LYS . 30.7 mm -88.98 -19.61 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 538' ' ' ALA . 15.7 mtt -56.94 -39.77 75.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.24 -41.59 76.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 48.7 t -64.38 -34.67 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.541 HD23 HG22 ' A' ' 541' ' ' ILE . 0.2 OUTLIER -52.98 -96.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 2.7 pm0 -104.6 -21.23 13.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 90.92 33.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.69 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 90.1 m -130.35 -48.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 85.19 -12.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.634 ' HB2' HG22 ' A' ' 548' ' ' THR . 3.6 t70 -66.22 -42.75 88.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 551' ' ' GLN . . . . . 0.538 ' CD ' ' N ' ' A' ' 551' ' ' GLN . 5.0 mp0 -61.55 -44.43 97.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 555' ' ' LEU . 1.3 mm -74.55 -26.81 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.26 66.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.485 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 2.0 ppp? -81.17 -5.84 58.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 552' ' ' ILE . 40.8 mt -95.15 151.13 38.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.18 11.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.425 ' O ' ' ND1' ' A' ' 535' ' ' HIS . 18.3 Cg_endo -75.0 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -61.32 -13.45 19.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.1 mt-30 -106.24 -34.04 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.732 ' HG2' ' HB3' ' A' ' 538' ' ' ALA . 0.8 OUTLIER -46.21 -58.94 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.475 HE21 ' CG ' ' A' ' 534' ' ' ASP . 0.6 OUTLIER -54.08 -29.54 44.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.1 t -51.6 -34.64 38.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 50.1 mm -62.61 -39.47 84.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.532 HD23 ' C ' ' A' ' 564' ' ' LEU . 1.3 tt -60.61 -39.04 86.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 75.9 mt -66.89 -46.71 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -34.29 77.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.545 ' HD2' HD12 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -60.71 -36.8 79.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.32 -40.69 98.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -67.79 -38.64 83.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.537 HD12 ' HE2' ' A' ' 567' ' ' LYS . 74.0 mt -59.33 -34.87 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -60.58 -31.88 71.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.93 175.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.47 138.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 3.3 t -145.67 134.33 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -78.85 95.47 1.38 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -135.15 156.32 78.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 111.042 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.57 ' HB3' ' CE1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER -37.96 111.73 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.461 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 70.7 p -41.71 164.51 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.06 -17.86 19.07 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.809 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.47 -38.88 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -62.02 -44.25 97.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 20.1 m-70 -67.5 -26.42 66.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.57 3.89 26.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.874 ' O ' HD12 ' A' ' 541' ' ' ILE . 25.8 mmtt -64.39 -22.92 67.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.97 -31.13 69.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.486 ' O ' ' CG ' ' A' ' 542' ' ' MET . . . -56.33 -44.5 80.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.6 OUTLIER -68.53 -41.59 79.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.874 HD12 ' O ' ' A' ' 537' ' ' LYS . 2.7 mt -81.37 -4.2 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.601 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -66.86 -33.64 76.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.449 ' N ' ' HG2' ' A' ' 542' ' ' MET . 5.3 mt-30 -63.51 -46.78 84.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 33.6 t -63.5 -32.24 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 541' ' ' ILE . 2.8 mm? -67.29 -99.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.41 -23.76 12.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.762 ' O ' HG23 ' A' ' 548' ' ' THR . 4.8 tp 66.64 84.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 547' ' ' LEU . 1.4 p -161.54 -44.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 84.65 -44.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -59.68 -38.83 82.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -65.67 -38.82 90.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.92 -28.59 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.87 70.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 4.5 mmt -81.84 -3.59 54.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 11.7 mt -94.29 146.14 31.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.4 Cg_endo -74.97 173.51 14.39 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.7 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -68.66 -6.36 25.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.2 mt-30 -114.69 -38.09 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 2.5 ttp180 -51.56 -62.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -57.06 -24.82 56.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -47.35 -37.38 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.421 HG22 HD13 ' A' ' 541' ' ' ILE . 3.2 mt -62.2 -41.21 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.581 HD12 ' CB ' ' A' ' 537' ' ' LYS . 1.3 tt -60.48 -34.01 73.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.467 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 4.0 mm -69.81 -46.56 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -33.72 74.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.608 ' HG3' HG21 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -60.87 -48.21 82.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 7.5 pt-20 -67.65 -35.45 78.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 569' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -63.3 -38.03 89.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 567' ' ' LYS . 54.4 mt -58.85 -40.81 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.0 -43.23 96.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.28 70.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.18 154.78 19.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 11.0 t -53.92 -34.67 60.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.417 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 138.25 -151.95 21.69 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . 63.62 68.85 0.85 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.75 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 24.3 m170 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.734 ' C ' HG23 ' A' ' 531' ' ' THR . 0.0 OUTLIER -170.39 -172.61 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.734 HG23 ' C ' ' A' ' 530' ' ' MET . 0.6 OUTLIER 64.74 -172.54 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -16.76 20.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.558 1.82 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 533' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 537' ' ' LYS . 0.0 OUTLIER -69.55 -39.87 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -67.01 -41.34 86.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -77.42 -26.35 51.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.632 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 536' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 24.7 tt0 -99.07 7.39 45.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 533' ' ' GLN . 5.9 mttt -69.88 -22.26 63.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.738 ' HB3' ' HG2' ' A' ' 560' ' ' ARG . . . -64.95 -33.72 76.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.465 ' HA ' ' CB ' ' A' ' 542' ' ' MET . . . -57.21 -36.51 70.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 1.023 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.2 OUTLIER -59.38 -33.28 71.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.51 HG21 ' CG ' ' A' ' 567' ' ' LYS . 3.3 mt -97.81 -14.22 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.561 ' CE ' ' HB2' ' A' ' 549' ' ' ALA . 12.4 tmm? -58.63 -34.37 71.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 547' ' ' LEU . 2.0 pt20 -62.0 -44.49 96.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.51 -33.38 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.85 HD12 ' HG3' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -56.14 -89.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.85 ' HG3' HD12 ' A' ' 545' ' ' LEU . 0.0 OUTLIER -108.05 -35.18 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.717 ' O ' HG23 ' A' ' 548' ' ' THR . 2.9 tp 99.46 33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 547' ' ' LEU . 1.6 p -160.75 111.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.561 ' HB2' ' CE ' ' A' ' 542' ' ' MET . . . -63.79 -12.92 39.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.61 -45.78 92.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -68.86 -39.67 79.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.551 HG22 ' HD2' ' A' ' 560' ' ' ARG . 2.3 mm -73.45 -25.3 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -59.16 -22.21 60.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.491 ' C ' HD23 ' A' ' 555' ' ' LEU . 39.2 mtt -69.96 -21.62 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.685 HD23 ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -98.07 146.22 31.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.2 Cg_endo -75.01 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -66.34 -8.82 27.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.534 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.0 mt-30 -115.47 -39.12 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.738 ' HG2' ' HB3' ' A' ' 538' ' ' ALA . 1.2 ttp180 -41.44 -56.86 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -42.32 -33.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 57.0 p -43.4 -39.99 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.464 HD11 ' CD2' ' A' ' 545' ' ' LEU . 0.1 OUTLIER -59.94 -43.19 91.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.521 HD23 ' C ' ' A' ' 564' ' ' LEU . 1.0 OUTLIER -59.38 -35.59 74.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 24.7 mt -72.19 -44.99 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -44.82 85.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.782 ' HA ' HD12 ' A' ' 570' ' ' ILE . 4.1 tptt -68.88 -36.58 78.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 15.3 mm-40 -60.99 -36.04 78.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -62.6 -38.16 89.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 567' ' ' LYS . 30.8 mt -59.21 -41.88 85.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.12 -39.94 90.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -67.86 145.75 54.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 4.6 t -76.4 81.37 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 39.6 m -76.34 140.19 41.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -48.37 -58.3 7.41 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -115.28 90.81 25.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 0.0 111.023 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.545 ' CE ' ' NE2' ' A' ' 535' ' ' HIS . 0.2 OUTLIER -150.1 136.9 19.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.545 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 30.0 p -43.93 169.94 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.545 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.07 -22.4 14.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.61 -38.73 70.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -61.56 -37.68 84.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 557' ' ' PRO . 1.3 m-70 -75.01 -34.1 61.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -89.47 11.31 19.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.755 ' CD ' HD12 ' A' ' 564' ' ' LEU . 1.8 tttt -70.71 -23.05 62.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -62.24 -32.41 73.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.469 ' HA ' ' CE ' ' A' ' 542' ' ' MET . . . -56.2 -38.13 70.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.941 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.6 OUTLIER -68.92 -31.28 70.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 541' ' ' ILE . 5.6 mt -96.89 7.11 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.469 ' CE ' ' HA ' ' A' ' 539' ' ' ALA . 0.0 OUTLIER -65.61 -44.86 85.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -39.19 90.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 7.8 t -65.18 -33.24 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.477 ' CD2' ' OE1' ' A' ' 546' ' ' GLN . 63.3 tp -68.36 -99.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.489 ' HG2' ' N ' ' A' ' 547' ' ' LEU . 3.2 pm0 -105.64 -34.97 7.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.489 ' N ' ' HG2' ' A' ' 546' ' ' GLN . 0.0 OUTLIER 84.63 74.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.764 HG22 ' H ' ' A' ' 550' ' ' ASP . 1.2 m -168.18 -41.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.46 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.764 ' H ' HG22 ' A' ' 548' ' ' THR . 0.4 OUTLIER -60.4 -39.38 87.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -69.05 -39.38 79.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.625 HD11 HD12 ' A' ' 563' ' ' ILE . 0.9 OUTLIER -74.5 -28.23 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -60.38 -30.39 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.5 -5.94 51.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 3.7 mt -95.25 143.86 26.83 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -75.03 173.57 14.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.603 ' O ' ' CE1' ' A' ' 535' ' ' HIS . 18.4 Cg_endo -75.0 -37.29 2.09 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.511 1.795 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -70.47 -4.78 24.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.5 mt-30 -117.33 -39.79 3.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.58 -56.36 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 564' ' ' LEU . 1.1 tt0 -57.46 -32.63 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.8 t -45.16 -34.08 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.625 HD12 HD11 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -62.52 -40.04 86.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.755 HD12 ' CD ' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -59.89 -36.61 77.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.632 HD13 ' CD2' ' A' ' 564' ' ' LEU . 22.1 mm -71.66 -44.82 69.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -45.44 85.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.555 ' HA ' HD12 ' A' ' 570' ' ' ILE . 5.6 tptp -69.77 -37.56 76.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.13 -37.73 86.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.58 -38.96 89.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 567' ' ' LYS . 31.0 mt -63.88 -38.5 82.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -35.53 79.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.86 133.35 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.83 161.33 28.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 18.0 m 61.04 103.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.424 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -145.42 -101.54 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . 62.5 156.23 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.559 1.82 . . . . 0.0 111.036 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 43.5 m170 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.715 ' C ' HG23 ' A' ' 531' ' ' THR . 9.0 mtm -66.95 -35.09 79.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.715 HG23 ' C ' ' A' ' 530' ' ' MET . 0.5 OUTLIER 62.57 -174.92 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.547 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.6 Cg_endo -74.89 -18.93 18.62 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.43 -38.21 84.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 534' ' ' ASP . . . . . 0.532 ' OD2' ' NE2' ' A' ' 561' ' ' GLN . 37.2 t70 -59.19 -38.81 80.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -70.57 -26.77 63.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.49 8.27 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.48 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 7.2 mmmt -70.13 -22.57 62.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.503 ' HB2' ' HA ' ' A' ' 561' ' ' GLN . . . -63.59 -32.33 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -55.39 -37.61 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.611 ' O ' HD12 ' A' ' 540' ' ' LEU . 2.3 tp -69.15 -33.13 72.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.64 HG23 ' HG2' ' A' ' 567' ' ' LYS . 3.0 mm -83.77 -23.01 8.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.541 ' HE1' ' HB2' ' A' ' 549' ' ' ALA . 3.4 tmm? -57.02 -35.44 69.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -69.36 -38.17 77.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.9 t -61.97 -33.51 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.84 -103.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' A' ' 547' ' ' LEU . 2.9 pp0? -107.88 -24.29 11.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.771 ' C ' HD12 ' A' ' 547' ' ' LEU . 0.1 OUTLIER 79.28 102.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.706 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 1.2 m -170.85 -43.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 86.56 -35.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.644 ' H ' HG22 ' A' ' 548' ' ' THR . 2.1 t0 -59.35 -37.0 76.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 551' ' ' GLN . . . . . 0.414 ' NE2' ' HG2' ' A' ' 546' ' ' GLN . 1.1 mt-30 -61.27 -45.31 95.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.631 HD11 HD12 ' A' ' 563' ' ' ILE . 1.2 mp -75.84 -30.75 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.91 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 551' ' ' GLN . 2.9 ptm -79.82 -0.5 34.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 4.8 mt -106.54 146.96 34.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -74.93 174.63 12.43 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -37.96 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -69.12 -6.8 30.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.6 mt-30 -119.01 -35.45 3.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.528 ' CG ' HG23 ' A' ' 552' ' ' ILE . 0.1 OUTLIER -45.31 -71.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.532 ' NE2' ' OD2' ' A' ' 534' ' ' ASP . 3.0 tt0 -47.85 -33.95 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.7 OUTLIER -44.14 -35.65 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.631 HD12 HD11 ' A' ' 552' ' ' ILE . 0.1 OUTLIER -62.04 -43.89 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.568 HD23 ' C ' ' A' ' 564' ' ' LEU . 1.7 tt -59.65 -38.67 82.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.477 HD11 ' OE1' ' A' ' 561' ' ' GLN . 50.8 mt -69.93 -44.18 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -37.98 89.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.926 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.5 OUTLIER -69.24 -40.77 77.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.53 -35.27 77.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 569' ' ' GLN . . . . . 0.455 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 3.5 mt-30 -62.08 -38.57 89.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.926 HD12 ' HA ' ' A' ' 567' ' ' LYS . 16.1 mt -59.54 -41.7 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -40.13 92.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -75.27 162.42 28.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.21 117.56 9.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 21.8 m -51.22 144.97 8.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 175.05 -68.28 0.1 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -58.21 159.62 10.91 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 47.3 t60 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.8 119.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.041 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.419 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.7 OUTLIER -43.17 167.09 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.04 -20.55 16.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.95 -40.06 75.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -63.09 -37.69 88.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.342 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -77.49 -25.86 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.617 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -97.42 8.32 44.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.728 ' CB ' HD12 ' A' ' 564' ' ' LEU . 0.1 OUTLIER -69.78 -22.48 63.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.21 -32.29 72.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.538 ' O ' ' HE2' ' A' ' 542' ' ' MET . . . -56.89 -38.48 72.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.408 ' O ' HD12 ' A' ' 540' ' ' LEU . 2.9 tp -69.18 -35.21 76.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.961 HG22 HD12 ' A' ' 545' ' ' LEU . 13.8 mm -84.15 -22.57 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.888 ' SD ' ' HB2' ' A' ' 549' ' ' ALA . 0.0 OUTLIER -58.33 -32.86 68.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.492 ' N ' ' HG2' ' A' ' 542' ' ' MET . 19.6 mt-30 -63.34 -49.72 72.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.1 -34.09 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.961 HD12 HG22 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -55.88 -86.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.625 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.71 -31.85 9.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.625 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 98.28 14.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.97 128.43 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.888 ' HB2' ' SD ' ' A' ' 542' ' ' MET . . . -80.66 -0.97 40.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.45 -47.15 87.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 551' ' ' GLN . . . . . 0.429 ' NE2' ' HB2' ' A' ' 546' ' ' GLN . 1.8 mp0 -69.01 -39.4 79.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 1.114 HD13 HD12 ' A' ' 555' ' ' LEU . 8.0 mm -68.07 -32.78 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.2 -32.36 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.08 -2.68 58.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 1.114 HD12 HD13 ' A' ' 552' ' ' ILE . 87.4 mt -95.79 147.38 32.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.71 14.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.556 1.819 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -40.42 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.04 -9.04 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -111.19 -37.39 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.451 ' CD ' HG23 ' A' ' 552' ' ' ILE . 2.9 ttp180 -54.29 -67.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.422 ' NE2' HG13 ' A' ' 565' ' ' ILE . 0.1 OUTLIER -54.14 -18.88 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.9 OUTLIER -56.16 -34.86 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 13.3 mt -62.29 -38.84 82.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.728 HD12 ' CB ' ' A' ' 537' ' ' LYS . 2.8 tt -60.53 -37.93 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.422 HG13 ' NE2' ' A' ' 561' ' ' GLN . 85.6 mt -66.71 -47.59 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -35.1 78.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.626 ' CG ' HG21 ' A' ' 541' ' ' ILE . 2.9 mmtt -61.63 -36.83 81.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.81 -37.74 88.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -64.98 -39.76 93.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.64 -36.99 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 571' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 567' ' ' LYS . 1.4 mp0 -65.84 -38.51 89.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 572' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 574' ' ' THR . 6.5 mttt 66.16 157.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.53 95.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.036 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 574' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 574' ' ' THR . 9.4 t -166.93 72.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.454 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -179.99 -94.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.716 ' HB3' ' HD3' ' A' ' 577' ' ' PRO . . . -63.36 -50.03 76.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 577' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 576' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 529' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 530' ' ' MET . 14.1 m-70 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 529' ' ' HIS . 0.0 OUTLIER -37.55 99.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.425 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.7 OUTLIER -52.82 167.0 0.42 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -74.99 -9.18 20.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 533' ' ' GLN . . . . . 0.425 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 3.6 pp0? -70.54 -39.24 74.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -61.35 -40.91 96.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -74.23 -25.97 59.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.589 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -85.24 4.37 35.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.699 ' HB3' HD12 ' A' ' 564' ' ' LEU . 3.0 mmpt? -63.99 -23.2 67.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -62.44 -34.28 76.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -63.68 -36.97 85.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -33.11 73.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.881 HD13 ' HA ' ' A' ' 564' ' ' LEU . 0.5 OUTLIER -89.56 -17.66 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.81 ' CE ' HD13 ' A' ' 552' ' ' ILE . 4.4 mmt -58.22 -35.48 71.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.523 ' HA ' ' CB ' ' A' ' 547' ' ' LEU . 6.0 mt-30 -66.5 -38.28 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 36.3 t -62.01 -32.76 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.647 HD21 ' HD3' ' A' ' 567' ' ' LYS . 4.5 mm? -78.52 -98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.561 ' NE2' ' SD ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -106.55 -30.6 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 543' ' ' GLN . 0.0 OUTLIER 78.85 92.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.731 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 17.4 m -160.98 -44.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.36 -34.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.601 ' HB2' HG22 ' A' ' 548' ' ' THR . 0.5 OUTLIER -59.19 -36.81 76.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -45.16 95.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.81 HD13 ' CE ' ' A' ' 542' ' ' MET . 0.5 OUTLIER -75.18 -33.04 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.18 -22.44 60.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 3.1 mmm -84.25 -5.41 59.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 20.4 mt -106.82 155.2 39.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.58 12.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.91 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.13 -9.48 31.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.6 mt-30 -116.44 -35.99 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -42.13 -60.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -31.65 67.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.9 t -46.58 -35.51 5.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.8 tp -62.38 -43.88 98.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.881 ' HA ' HD13 ' A' ' 541' ' ' ILE . 1.4 tt -58.95 -39.49 81.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.451 ' O ' ' HG3' ' A' ' 568' ' ' GLU . 85.9 mt -65.03 -45.39 94.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -38.41 79.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.841 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.0 OUTLIER -69.88 -48.55 58.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -65.06 -33.26 75.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 569' ' ' GLN . . . . . 0.519 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 6.2 mt-30 -61.59 -38.23 86.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.841 HD12 ' HA ' ' A' ' 567' ' ' LYS . 11.1 mt -59.07 -36.42 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -60.38 -42.87 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 10.1 mttt 63.26 107.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 3.3 t -148.23 -57.92 0.23 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 20.3 m 62.73 70.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.391 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -95.56 -59.46 1.08 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -120.19 159.09 48.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.781 ' C ' HG23 ' A' ' 531' ' ' THR . 1.5 ttp -97.01 64.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.781 HG23 ' C ' ' A' ' 530' ' ' MET . 0.8 OUTLIER 68.61 178.2 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.01 -18.94 18.29 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.474 1.776 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -39.59 79.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 534' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 530' ' ' MET . 24.4 t0 -61.69 -49.71 75.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 558' ' ' GLU . 95.2 m-70 -67.81 -25.67 65.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -78.28 0.44 25.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.565 ' HB3' HD13 ' A' ' 564' ' ' LEU . 0.2 OUTLIER -64.1 -22.82 67.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.525 ' HB3' ' HG2' ' A' ' 560' ' ' ARG . . . -69.35 -27.88 65.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -50.77 -37.28 41.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.705 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.5 tp -61.86 -32.58 72.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.703 HD12 ' HD2' ' A' ' 567' ' ' LYS . 3.1 mm -95.55 -15.15 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 546' ' ' GLN . 28.8 ttm -58.3 -32.27 68.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 540' ' ' LEU . 3.1 pt20 -61.59 -42.96 99.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.37 -42.5 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.462 ' HB3' HD11 ' A' ' 552' ' ' ILE . 0.2 OUTLIER -93.41 19.47 8.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -84.72 -6.98 59.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 5.3 tt -39.59 -29.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.73 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 0.7 OUTLIER -135.19 -49.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.408 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.03 -32.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -59.67 -37.79 79.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' GLN . . . . . 0.43 ' O ' ' HG ' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -62.75 -45.32 93.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.462 HD11 ' HB3' ' A' ' 545' ' ' LEU . 3.0 mm -74.5 -41.56 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.4 -22.27 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.4 mmm -80.6 -9.69 59.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 551' ' ' GLN . 16.3 mt -103.9 147.5 34.38 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -74.92 175.39 11.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 556' ' ' PRO . 18.3 Cg_endo -75.03 -38.6 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 558' ' ' GLU . . . . . 0.445 ' HA ' ' CE1' ' A' ' 535' ' ' HIS . 25.9 tt0 -69.0 -6.0 25.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.4 mt-30 -116.99 -35.84 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.525 ' HG2' ' HB3' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -40.85 -56.25 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.5 OUTLIER -47.81 -34.47 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 4.9 t -45.89 -33.58 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 563' ' ' ILE . 10.8 mm -61.54 -39.19 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.687 HD23 HD13 ' A' ' 565' ' ' ILE . 1.4 tt -60.68 -34.55 74.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.687 HD13 HD23 ' A' ' 564' ' ' LEU . 18.7 mm -71.93 -45.56 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -45.47 83.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.812 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.1 OUTLIER -69.34 -35.94 76.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 2.6 tt0 -60.66 -35.59 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -65.09 -37.88 88.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 567' ' ' LYS . 32.4 mt -58.78 -35.91 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -61.86 -32.6 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -76.7 122.42 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.82 108.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 4.4 m -57.69 120.51 8.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 178.13 143.24 5.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -118.23 87.02 28.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.765 ' C ' HG23 ' A' ' 531' ' ' THR . 1.0 OUTLIER -95.08 64.18 2.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.765 HG23 ' C ' ' A' ' 530' ' ' MET . 1.5 p 72.11 179.5 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -36.55 2.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -55.67 -37.29 68.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 534' ' ' ASP . . . . . 0.54 ' OD2' ' NE2' ' A' ' 561' ' ' GLN . 12.3 t0 -58.74 -45.55 89.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 561' ' ' GLN . 56.1 m-70 -78.01 -25.85 48.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.636 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.8 -0.89 55.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.647 ' CB ' HD12 ' A' ' 564' ' ' LEU . 0.7 OUTLIER -68.21 -23.1 64.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.783 ' HB3' ' HG2' ' A' ' 560' ' ' ARG . . . -71.78 -30.5 65.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.405 ' HA ' ' HB2' ' A' ' 542' ' ' MET . . . -53.78 -40.97 66.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.5 tp -67.61 -34.16 76.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.765 HG22 HD23 ' A' ' 545' ' ' LEU . 6.3 mm -92.28 6.35 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.471 ' SD ' ' CG2' ' A' ' 552' ' ' ILE . 2.7 ttp -65.92 -45.02 83.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.407 ' HA ' ' HA ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -68.11 -39.27 82.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 31.2 t -68.05 -33.69 62.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.765 HD23 HG22 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -55.4 -96.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.548 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.32 -15.89 15.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.548 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER 91.69 29.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.401 ' OG1' ' C ' ' A' ' 547' ' ' LEU . 2.4 m -153.47 139.7 18.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 553' ' ' ALA . . . -90.11 -20.24 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.88 -38.61 86.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -68.68 -45.62 71.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.696 ' HA ' HD12 ' A' ' 555' ' ' LEU . 0.2 OUTLIER -74.58 -30.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -61.11 -23.43 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.88 -0.84 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 552' ' ' ILE . 40.3 mt -99.17 150.13 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.59 12.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -43.56 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.781 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.1 -13.03 22.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -104.67 -37.92 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.783 ' HG2' ' HB3' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -54.29 -62.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.54 ' NE2' ' OD2' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -50.79 -28.71 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.249 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.631 ' HA ' HD12 ' A' ' 565' ' ' ILE . 0.3 OUTLIER -50.62 -32.53 19.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.406 HD13 ' HG ' ' A' ' 545' ' ' LEU . 19.6 mt -65.15 -38.5 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.647 HD12 ' CB ' ' A' ' 537' ' ' LYS . 1.1 tt -61.43 -38.72 88.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 562' ' ' SER . 24.6 mt -64.9 -47.96 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -35.61 78.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.172 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.853 ' HA ' HD12 ' A' ' 570' ' ' ILE . 4.5 mmtt -62.02 -41.03 97.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -63.47 -36.5 83.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -64.92 -38.99 92.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 567' ' ' LYS . 20.9 mt -59.72 -38.86 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -33.46 76.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.5 mttt 59.43 96.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.97 97.31 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 5.4 t -56.54 144.03 33.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 575' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 576' ' ' ALA . . . -165.15 -97.87 0.12 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 575' ' ' GLY . . . 40.49 70.24 1.6 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 529' ' ' HIS . . . . . 0.513 ' CG ' ' O ' ' A' ' 529' ' ' HIS . 8.3 t60 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -37.62 112.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.449 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 68.3 p -41.42 164.01 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -74.99 -19.68 17.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.57 -39.19 74.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -62.86 -48.9 77.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.485 ' C ' ' ND1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER -67.08 -25.48 66.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -76.93 -0.86 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.651 ' CB ' HD12 ' A' ' 564' ' ' LEU . 3.1 mmpt? -63.63 -22.58 66.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.71 -32.39 72.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 542' ' ' MET . . . -57.0 -38.03 72.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 540' ' ' LEU . 2.1 tp -68.87 -39.16 79.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.606 HG21 ' HG3' ' A' ' 567' ' ' LYS . 10.1 mm -80.98 -21.91 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.596 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -58.4 -33.29 69.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.491 ' N ' ' HG2' ' A' ' 542' ' ' MET . 19.9 mt-30 -68.37 -48.22 65.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 17.9 t -71.44 -33.95 51.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.983 HD23 ' CD ' ' A' ' 546' ' ' GLN . 6.1 tp -54.46 -87.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.983 ' CD ' HD23 ' A' ' 545' ' ' LEU . 0.0 OUTLIER -104.46 -30.29 10.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.634 ' O ' HD23 ' A' ' 547' ' ' LEU . 2.3 tt 93.33 24.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 3.0 p -144.73 104.4 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' A' ' 553' ' ' ALA . . . -62.83 -15.89 56.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.45 -42.41 87.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -65.44 -45.48 83.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.807 HD11 HD22 ' A' ' 545' ' ' LEU . 0.6 OUTLIER -74.8 -26.16 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -60.6 -22.47 63.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.91 -10.88 59.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.74 140.03 67.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 174.68 12.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.6 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.02 128.86 11.8 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 558' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 0.7 OUTLIER 95.9 -22.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.81 -30.66 24.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.487 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 5.5 mtm180 -60.52 -58.2 9.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 564' ' ' LEU . 2.4 tt0 -38.86 -29.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 560' ' ' ARG . 7.8 t -44.57 -36.79 3.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.444 HD12 HD13 ' A' ' 545' ' ' LEU . 4.1 mm -61.83 -40.33 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.651 HD12 ' CB ' ' A' ' 537' ' ' LYS . 2.5 tt -62.96 -38.89 92.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 19.2 mm -65.16 -46.85 89.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.72 -35.01 79.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.612 ' HE2' HD12 ' A' ' 570' ' ' ILE . 0.1 OUTLIER -61.5 -36.81 81.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.08 -36.39 81.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -40.52 87.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.612 HD12 ' HE2' ' A' ' 567' ' ' LYS . 62.6 mt -59.54 -37.84 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -65.9 -36.52 83.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 4.5 mttm 64.06 76.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 4.2 t -165.45 85.52 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 18.3 m 47.56 94.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -80.44 153.21 34.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -122.08 155.45 61.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.576 1.829 . . . . 0.0 111.058 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 1.1 mmt -59.04 165.52 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.608 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.6 OUTLIER -90.8 -171.63 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.608 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -74.98 -16.33 20.31 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 111.025 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 533' ' ' GLN . . . . . 0.42 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.5 OUTLIER -70.37 -45.72 65.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 534' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 537' ' ' LYS . 19.6 t70 -65.07 -37.64 88.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -78.59 -25.97 45.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.609 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 536' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 28.9 tt0 -96.36 9.12 42.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.867 ' CB ' HD12 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -69.62 -22.77 63.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -68.12 -31.71 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -56.38 -36.7 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.894 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.8 OUTLIER -70.19 -33.24 71.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 537' ' ' LYS . 3.4 mt -93.63 -0.17 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.734 ' CE ' ' HB1' ' A' ' 549' ' ' ALA . 0.0 OUTLIER -65.56 -44.49 86.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.521 ' HB2' HD12 ' A' ' 547' ' ' LEU . 0.0 OUTLIER -70.33 -37.97 74.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 44.1 t -63.0 -32.81 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 545' ' ' LEU . 0.2 OUTLIER -61.54 -81.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.223 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.673 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 7.1 tm0? -105.27 -36.87 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.673 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 14.8 tp 103.35 15.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.698 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 55.2 m -129.74 -40.42 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.734 ' HB1' ' CE ' ' A' ' 542' ' ' MET . . . 84.47 -8.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.591 ' HB2' HG22 ' A' ' 548' ' ' THR . 2.1 t0 -60.27 -40.7 91.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 551' ' ' GLN . . . . . 0.48 ' NE2' ' HB3' ' A' ' 550' ' ' ASP . 20.4 mp0 -69.36 -45.14 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.653 HG21 ' HG3' ' A' ' 542' ' ' MET . 2.8 mm -68.36 -27.12 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.67 -22.97 64.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.4 mmm -91.48 -1.28 57.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.609 HD12 HD13 ' A' ' 552' ' ' ILE . 11.4 mt -92.43 146.74 33.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.13 13.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.32 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -67.31 -8.14 29.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.2 mt-30 -114.73 -36.99 4.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -46.36 -58.8 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.5 OUTLIER -56.7 -29.98 63.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.0 OUTLIER -47.96 -29.23 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 541' ' ' ILE . 0.1 OUTLIER -67.29 -37.45 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.867 HD12 ' CB ' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -59.99 -34.93 74.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 82.4 mt -72.36 -44.41 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -44.79 90.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.926 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.0 OUTLIER -68.42 -39.03 81.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.41 -36.01 79.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -65.94 -38.26 88.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.926 HD12 ' HA ' ' A' ' 567' ' ' LYS . 23.7 mt -59.13 -40.9 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.97 -32.39 73.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -72.57 117.28 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 47.1 t -146.57 -52.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 6.0 m -131.61 93.28 3.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 85.33 -138.14 16.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -136.19 154.53 77.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.034 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 58.7 m170 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.22 125.84 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 531' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.87 175.65 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -15.17 21.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.93 -42.0 77.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.26 -37.77 78.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.239 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -26.38 66.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.571 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -84.38 7.35 19.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.642 ' O ' HD23 ' A' ' 540' ' ' LEU . 28.6 mmtt -66.47 -23.03 66.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -67.7 -33.66 75.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.453 ' O ' ' HE3' ' A' ' 542' ' ' MET . . . -58.52 -36.33 73.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 537' ' ' LYS . 0.4 OUTLIER -65.96 -33.47 75.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.52 HG21 ' HG3' ' A' ' 567' ' ' LYS . 5.2 mt -91.45 -17.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 538' ' ' ALA . 6.7 tmm? -58.95 -35.55 73.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -63.85 -48.9 74.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.34 -33.65 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.977 HD23 ' CD ' ' A' ' 546' ' ' GLN . 6.3 tp -55.27 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.977 ' CD ' HD23 ' A' ' 545' ' ' LEU . 0.0 OUTLIER -104.77 -31.37 9.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.605 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 1.4 tp 96.4 32.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 547' ' ' LEU . 3.0 p -155.4 132.58 10.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 553' ' ' ALA . . . -82.53 -24.1 34.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -60.96 -39.43 89.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -66.14 -44.29 84.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.549 HG23 HD12 ' A' ' 555' ' ' LEU . 0.4 OUTLIER -73.97 -29.14 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -61.25 -22.7 65.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -83.24 -5.96 59.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.549 HD12 HG23 ' A' ' 552' ' ' ILE . 87.9 mt -78.37 142.43 62.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 174.53 12.63 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.6 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.4 Cg_endo -74.98 128.8 11.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 558' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 1.2 tt0 94.22 -17.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.0 OUTLIER -88.07 -30.73 19.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.432 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 14.8 mtm180 -61.57 -62.06 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.464 ' OE1' HD22 ' A' ' 564' ' ' LEU . 0.1 OUTLIER -49.76 -22.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.482 ' HA ' HD12 ' A' ' 565' ' ' ILE . 1.4 t -51.71 -33.08 32.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.75 HD11 HD13 ' A' ' 545' ' ' LEU . 0.2 OUTLIER -63.81 -39.97 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 537' ' ' LYS . 2.6 tt -59.46 -34.15 72.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 562' ' ' SER . 44.3 mt -72.18 -45.8 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -34.78 78.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.52 ' HG3' HG21 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -61.17 -41.05 96.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.87 -34.09 75.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 569' ' ' GLN . . . . . 0.503 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 78.6 mt-30 -65.17 -38.96 92.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 567' ' ' LYS . 57.9 mt -59.7 -37.85 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.83 -43.38 93.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt 41.19 54.34 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 1.4 t -148.47 114.07 5.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 3.0 m 60.87 105.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -94.46 88.88 1.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -42.28 124.34 2.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 529' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 530' ' ' MET . 21.2 m-70 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 529' ' ' HIS . 0.0 OUTLIER -37.19 112.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 111.021 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.519 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 51.4 p -43.3 167.37 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.446 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.519 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.05 -13.22 21.37 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 533' ' ' GLN . . . . . 0.463 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.1 OUTLIER -71.25 -40.09 71.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 534' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 537' ' ' LYS . 17.5 t0 -65.63 -37.72 87.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -68.02 -26.31 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.564 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.34 9.35 18.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 534' ' ' ASP . 0.4 OUTLIER -68.83 -23.1 64.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -63.88 -30.83 71.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.53 ' HA ' ' CG ' ' A' ' 542' ' ' MET . . . -54.71 -33.89 61.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.962 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -65.6 -28.29 69.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.683 HD13 ' HB3' ' A' ' 567' ' ' LYS . 8.0 mt -111.75 8.05 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.55 ' CE ' ' NH1' ' A' ' 560' ' ' ARG . 6.1 mtt -66.95 -32.71 74.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.412 ' OE1' ' O ' ' A' ' 540' ' ' LEU . 2.8 mp0 -60.67 -41.08 94.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.7 -43.24 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 1.03 ' CD2' HD11 ' A' ' 552' ' ' ILE . 0.1 OUTLIER -95.74 24.05 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 109.348 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -92.44 -6.3 50.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER -37.98 -31.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.698 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 23.6 m -133.35 -51.92 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 85.78 -21.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 554' ' ' MET . 6.6 t0 -66.48 -37.97 86.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 551' ' ' GLN . . . . . 0.414 ' NE2' ' HB ' ' A' ' 548' ' ' THR . 0.0 OUTLIER -68.13 -45.66 73.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 1.03 HD11 ' CD2' ' A' ' 545' ' ' LEU . 9.4 mm -72.75 -41.92 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 549' ' ' ALA . . . -63.47 -39.02 93.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 550' ' ' ASP . 2.2 mmt -79.28 -8.55 59.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 552' ' ' ILE . 5.8 mt -81.27 148.87 64.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.4 Cg_endo -75.02 173.53 14.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.42 ' HA ' ' HG3' ' A' ' 560' ' ' ARG . 18.5 Cg_endo -74.97 -34.26 4.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.75 0.79 16.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 562' ' ' SER . 0.6 OUTLIER -121.17 -37.6 2.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.55 ' NH1' ' CE ' ' A' ' 542' ' ' MET . 0.6 OUTLIER -38.73 -55.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 564' ' ' LEU . 1.0 OUTLIER -61.62 -34.09 75.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 559' ' ' GLN . 1.5 t -45.15 -32.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.551 ' CG1' HD13 ' A' ' 545' ' ' LEU . 1.5 tp -61.95 -40.66 88.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.589 HD23 ' C ' ' A' ' 564' ' ' LEU . 0.9 OUTLIER -58.4 -36.6 73.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 74.1 mt -72.23 -45.32 62.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.47 -45.16 84.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.784 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.2 OUTLIER -68.92 -37.56 79.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 1.3 tt0 -62.34 -36.27 81.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -61.51 -40.39 94.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 567' ' ' LYS . 11.2 mt -60.11 -41.13 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 571' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 572' ' ' LYS . 1.4 mp0 -63.9 -43.23 96.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 572' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 571' ' ' GLN . 5.2 pttt 45.17 -163.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 8.6 t 43.56 83.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 10.1 t -115.61 124.39 50.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -72.53 135.8 22.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . 41.68 84.61 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.517 1.798 . . . . 0.0 111.005 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.422 ' SD ' ' HB2' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -37.78 118.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.535 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 33.1 p -43.79 169.01 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.535 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.09 -13.15 21.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.17 -39.21 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 534' ' ' ASP . . . . . 0.422 ' HB2' ' SD ' ' A' ' 530' ' ' MET . 15.6 t70 -69.32 -39.11 78.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -27.13 66.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.641 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -84.26 6.86 21.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.739 ' O ' HD12 ' A' ' 541' ' ' ILE . 39.5 mmtt -65.61 -23.42 66.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.794 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -69.18 -33.61 73.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.442 ' HA ' ' SD ' ' A' ' 542' ' ' MET . . . -59.66 -37.62 79.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.968 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.3 OUTLIER -69.09 -35.54 76.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.782 HG22 HD12 ' A' ' 545' ' ' LEU . 3.5 mt -86.49 -19.81 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.875 ' SD ' ' HB2' ' A' ' 549' ' ' ALA . 0.0 OUTLIER -59.95 -33.64 72.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.483 ' N ' ' HG2' ' A' ' 542' ' ' MET . 15.0 mt-30 -63.71 -48.04 78.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.0 t -69.76 -33.93 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.782 HD12 HG22 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -54.75 -90.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.599 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.75 -26.48 12.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.359 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.599 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.4 OUTLIER 95.76 13.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.12 127.05 15.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.875 ' HB2' ' SD ' ' A' ' 542' ' ' MET . . . -79.87 1.75 25.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -66.47 -48.52 69.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 551' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 546' ' ' GLN . 1.6 mp0 -69.81 -40.69 75.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.1 mm -71.82 -29.86 35.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -61.96 -28.47 69.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.72 -6.12 56.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.28 150.22 42.68 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.4 Cg_endo -74.96 172.28 16.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -35.36 3.16 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -72.54 -3.0 21.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.7 OUTLIER -117.08 -36.87 3.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.794 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 1.2 mtm180 -45.01 -57.21 3.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 564' ' ' LEU . 2.0 tt0 -60.95 -27.75 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 2.4 t -44.69 -34.91 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.622 HD12 HD11 ' A' ' 545' ' ' LEU . 1.4 mm -62.04 -41.52 91.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.707 HD12 ' CB ' ' A' ' 537' ' ' LYS . 3.7 tt -61.45 -39.32 90.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 562' ' ' SER . 69.6 mt -64.56 -49.01 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -35.01 76.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.666 ' HG2' HG21 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -62.04 -36.49 81.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.49 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.78 -33.86 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 569' ' ' GLN . . . . . 0.49 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 51.3 mt-30 -60.58 -39.35 87.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.533 HD12 ' CE ' ' A' ' 567' ' ' LYS . 58.1 mt -61.65 -41.25 89.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.99 -42.42 94.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 73.9 68.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.78 172.58 18.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 8.9 t -81.7 162.61 22.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -148.69 -165.56 12.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -57.77 160.77 7.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.953 -179.961 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 14.3 p80 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.34 121.53 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.414 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.2 OUTLIER -44.88 169.96 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -21.05 16.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -40.48 75.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 534' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 537' ' ' LYS . 0.5 OUTLIER -66.17 -37.96 86.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -67.66 -25.52 65.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.63 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -81.18 5.94 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.647 ' HB3' HD12 ' A' ' 564' ' ' LEU . 29.2 mttt -64.93 -23.42 67.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -64.51 -28.89 69.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -52.13 -33.29 39.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.979 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.7 OUTLIER -67.45 -30.35 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.771 HG21 ' HG3' ' A' ' 567' ' ' LYS . 2.0 mt -108.43 11.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.538 ' HB2' ' O ' ' A' ' 539' ' ' ALA . 0.0 OUTLIER -66.92 -43.08 84.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.79 91.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.15 -42.64 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 563' ' ' ILE . 0.6 OUTLIER -95.39 22.92 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 548' ' ' THR . 0.0 OUTLIER -93.6 -5.28 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 546' ' ' GLN . 0.7 OUTLIER -36.21 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.783 HG22 ' H ' ' A' ' 550' ' ' ASP . 1.1 m -133.4 -51.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 86.44 -28.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.783 ' H ' HG22 ' A' ' 548' ' ' THR . 1.2 t70 -60.42 -38.88 85.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 551' ' ' GLN . . . . . 0.53 ' O ' ' CD2' ' A' ' 555' ' ' LEU . 2.0 mp0 -67.01 -46.25 75.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.538 HG22 ' HD2' ' A' ' 560' ' ' ARG . 27.7 mm -69.85 -42.82 80.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.66 -21.45 62.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.413 ' CB ' ' O ' ' A' ' 550' ' ' ASP . 4.5 ttm -71.55 -23.13 61.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -99.3 159.3 30.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.1 Cg_endo -75.04 174.79 12.19 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.417 ' HA ' ' HG3' ' A' ' 560' ' ' ARG . 18.2 Cg_endo -75.01 -37.15 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -72.15 -2.15 17.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.459 ' HB2' ' HD2' ' A' ' 556' ' ' PRO . 1.1 mt-30 -117.55 -35.12 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.538 ' HD2' HG22 ' A' ' 552' ' ' ILE . 1.7 mtm180 -37.88 -50.55 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 564' ' ' LEU . 6.5 tt0 -39.71 -26.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 560' ' ' ARG . 2.9 m -45.35 -35.22 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.555 HD12 ' HG ' ' A' ' 545' ' ' LEU . 12.8 mm -61.26 -36.62 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 537' ' ' LYS . 2.8 tt -67.74 -39.47 84.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 16.3 mm -64.07 -46.89 92.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -34.74 78.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.771 ' HG3' HG21 ' A' ' 541' ' ' ILE . 0.2 OUTLIER -61.46 -41.15 96.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.81 -44.93 94.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -63.83 -39.14 93.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 57.3 mt -59.98 -40.62 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -41.83 97.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt 64.41 71.33 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 22.5 t -109.58 167.8 9.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 5.0 t -88.24 43.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 575' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 576' ' ' ALA . . . -126.16 154.65 18.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.444 1.09 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 575' ' ' GLY . . . 72.88 158.65 0.17 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 -179.999 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -38.7 118.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.43 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.3 OUTLIER -44.44 169.17 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.398 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -75.0 -16.96 19.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.449 1.763 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -39.99 75.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -66.09 -39.61 90.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.0 -25.75 66.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -84.62 8.14 17.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -21.6 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -65.63 -33.07 75.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.478 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.17 -35.18 66.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.996 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.4 OUTLIER -61.65 -32.85 73.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.794 HD13 ' CE ' ' A' ' 567' ' ' LYS . 1.4 mp -96.91 -13.67 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.478 ' HB3' ' O ' ' A' ' 539' ' ' ALA . 3.0 tmm? -58.2 -40.68 82.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.437 ' HA ' ' CB ' ' A' ' 547' ' ' LEU . 0.2 OUTLIER -69.81 -37.71 76.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.35 -33.96 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.57 HD23 HG23 ' A' ' 541' ' ' ILE . 2.6 mm? -71.94 -100.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.444 ' HG3' ' NE2' ' A' ' 551' ' ' GLN . 0.0 OUTLIER -105.96 -29.57 9.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 543' ' ' GLN . 0.5 OUTLIER 72.7 96.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.729 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 52.7 m -159.05 -42.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.379 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.24 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -59.96 -38.07 81.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 551' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 554' ' ' MET . 1.2 mt-30 -63.49 -40.89 98.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.13 -27.97 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.41 90.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.461 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 10.4 ptm -76.77 -11.06 59.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.428 HD23 ' HG3' ' A' ' 554' ' ' MET . 0.4 OUTLIER -84.14 143.21 42.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.4 Cg_endo -75.02 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.43 3.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.66 -1.52 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.8 mt-30 -120.82 -38.02 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 2.0 ttp180 -47.08 -56.18 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.87 -23.93 67.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.1 t -46.53 -34.41 4.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.849 HG22 ' CD ' ' A' ' 567' ' ' LYS . 49.0 mm -63.08 -36.0 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 561' ' ' GLN . 3.4 tt -61.78 -39.35 91.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 562' ' ' SER . 19.9 mt -68.66 -49.33 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -28.6 66.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.849 ' CD ' HG22 ' A' ' 563' ' ' ILE . 0.9 OUTLIER -55.58 -41.53 73.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -62.58 -38.13 88.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -66.37 -39.04 88.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 72.0 mt -65.12 -41.65 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -43.31 89.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 7.6 mttp 66.34 82.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 7.6 t -134.27 -59.91 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 4.3 t -123.09 149.26 44.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 575' ' ' GLY . . . . . 0.661 ' O ' ' HB2' ' A' ' 576' ' ' ALA . . . -109.71 151.05 17.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.804 ' HB3' ' HD3' ' A' ' 577' ' ' PRO . . . 166.15 -53.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 577' ' ' PRO . . . . . 0.804 ' HD3' ' HB3' ' A' ' 576' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 3.6 mmt 59.88 165.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.587 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.6 OUTLIER -92.28 -172.56 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.659 ' HA ' ' CD2' ' A' ' 535' ' ' HIS . 18.3 Cg_endo -75.04 -18.32 18.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.563 1.823 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 533' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 537' ' ' LYS . 0.7 OUTLIER -70.23 -39.14 75.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -60.93 -47.18 87.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.659 ' CD2' ' HA ' ' A' ' 532' ' ' PRO . 0.0 OUTLIER -77.04 -38.25 53.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.579 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 536' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 30.2 tt0 -80.71 2.72 24.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.514 ' O ' HD12 ' A' ' 541' ' ' ILE . 0.6 OUTLIER -67.26 -22.29 65.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.675 ' HB3' ' HG3' ' A' ' 560' ' ' ARG . . . -67.36 -32.09 72.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.428 ' HA ' ' SD ' ' A' ' 542' ' ' MET . . . -56.69 -39.73 74.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.895 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.6 OUTLIER -69.12 -33.57 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.752 HG21 ' CG ' ' A' ' 567' ' ' LYS . 4.6 mt -86.17 -20.73 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.621 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -56.99 -32.14 65.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.5 ' N ' ' HG2' ' A' ' 542' ' ' MET . 12.0 mt-30 -63.45 -47.29 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.252 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.8 -32.28 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 1.045 HD23 ' OE1' ' A' ' 546' ' ' GLN . 8.3 tp -57.96 -91.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 1.045 ' OE1' HD23 ' A' ' 545' ' ' LEU . 3.0 pm0 -105.56 -19.9 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.646 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 7.9 tp 100.33 -62.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.446 ' O ' ' NE2' ' A' ' 546' ' ' GLN . 2.1 p -58.57 106.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.506 ' HB2' ' CE ' ' A' ' 542' ' ' MET . . . -60.69 -28.05 68.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -37.98 80.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 551' ' ' GLN . . . . . 0.496 ' O ' ' CG ' ' A' ' 554' ' ' MET . 5.5 mt-30 -61.74 -45.28 94.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.956 ' HA ' HD12 ' A' ' 555' ' ' LEU . 0.1 OUTLIER -75.09 -34.04 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.82 -22.84 64.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 0.0 OUTLIER -81.95 -6.46 59.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.956 HD12 ' HA ' ' A' ' 552' ' ' ILE . 6.7 mt -92.61 157.96 39.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.84 32.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.67 2.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.74 -11.94 30.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.9 mt-30 -104.47 -38.31 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.675 ' HG3' ' HB3' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -48.31 -65.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.67 -23.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.7 OUTLIER -63.21 -38.19 90.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.96 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.415 HD12 HH12 ' A' ' 560' ' ' ARG . 0.8 OUTLIER -61.69 -37.37 77.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.684 HD23 ' C ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.84 -38.9 92.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 82.4 mt -65.75 -47.28 86.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -33.43 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.752 ' CG ' HG21 ' A' ' 541' ' ' ILE . 1.6 mmtt -61.44 -48.79 79.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 8.3 pt-20 -65.52 -35.04 79.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 569' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.8 OUTLIER -62.3 -37.27 84.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 567' ' ' LYS . 64.4 mt -58.35 -35.47 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -60.41 -43.04 97.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 17.2 mttt 67.05 92.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.72 118.51 27.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 22.6 m -144.08 86.12 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 100.56 -133.14 11.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -132.97 157.3 78.71 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 111.023 179.987 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 529' ' ' HIS . . . . . 0.415 ' CG ' ' O ' ' A' ' 529' ' ' HIS . 8.2 p-80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -37.25 114.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.511 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 44.1 p -43.75 167.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -74.99 -14.08 21.26 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 533' ' ' GLN . . . . . 0.466 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.2 OUTLIER -71.21 -40.35 71.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 534' ' ' ASP . . . . . 0.532 ' OD1' ' NE2' ' A' ' 561' ' ' GLN . 10.7 t70 -66.67 -37.95 85.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -67.38 -25.93 66.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.84 5.53 21.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -65.54 -23.51 66.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.73 ' HB1' ' HB ' ' A' ' 563' ' ' ILE . . . -69.63 -33.03 72.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -56.8 -36.81 70.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 1.023 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.3 OUTLIER -58.03 -34.4 70.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.714 HG21 ' HG3' ' A' ' 567' ' ' LYS . 3.7 mt -93.88 -26.56 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.526 ' HE2' HG12 ' A' ' 552' ' ' ILE . 1.3 tpt -57.42 -31.57 66.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -60.09 -37.73 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.42 -32.37 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.9 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.1 OUTLIER -105.79 -34.92 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.934 ' O ' HG23 ' A' ' 548' ' ' THR . 0.0 OUTLIER 86.63 92.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.934 HG23 ' O ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -178.43 107.56 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.16 -23.44 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.57 -38.76 85.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 551' ' ' GLN . . . . . 0.468 ' HG3' ' CB ' ' A' ' 548' ' ' THR . 1.1 mt-30 -65.44 -39.87 92.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.526 HG12 ' HE2' ' A' ' 542' ' ' MET . 1.7 mm -74.73 -25.79 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.69 72.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.35 -7.45 59.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.497 HD12 HD13 ' A' ' 552' ' ' ILE . 12.1 mt -75.99 143.95 75.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.2 Cg_endo -75.03 174.44 12.78 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.578 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.01 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 558' ' ' GLU . . . . . 0.578 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 0.1 OUTLIER 92.19 -14.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.466 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.6 OUTLIER -91.49 -30.57 16.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 538' ' ' ALA . 10.8 mtm105 -60.44 -64.9 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.532 ' NE2' ' OD1' ' A' ' 534' ' ' ASP . 1.1 tt0 -58.58 -14.88 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.3 t -47.93 -36.78 12.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.73 ' HB ' ' HB1' ' A' ' 538' ' ' ALA . 1.5 mt -61.42 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.1 -33.52 73.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 12.4 mm -71.27 -46.77 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -34.76 78.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.714 ' HG3' HG21 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -61.42 -36.22 79.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.1 OUTLIER -61.1 -35.38 76.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 569' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.9 OUTLIER -66.57 -38.66 87.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.45 -34.7 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -64.41 -40.56 96.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 62.66 65.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.05 -60.57 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 9.2 t -129.87 156.96 43.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -86.93 91.41 1.73 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.72 ' HB3' ' HD3' ' A' ' 577' ' ' PRO . . . -69.65 -50.04 19.57 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 577' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 576' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.405 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -37.69 108.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.971 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.44 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 72.8 p -41.95 164.32 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.44 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.05 -16.61 20.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -39.51 73.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.75 -46.17 86.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.626 ' CE1' ' HG3' ' A' ' 558' ' ' GLU . 36.7 m170 -71.31 -25.81 62.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.548 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -81.76 2.93 27.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.484 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 4.0 mtpt -63.48 -22.87 67.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -66.58 -30.47 70.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -54.39 -32.91 58.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.5 tp -67.4 -31.26 71.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.902 HD13 ' HA ' ' A' ' 564' ' ' LEU . 3.0 mt -105.79 5.39 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 538' ' ' ALA . 13.0 mtp -66.51 -32.44 73.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -40.26 94.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.07 -42.92 76.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.992 HD22 HD11 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -95.28 21.63 7.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -87.33 -10.13 53.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 547' ' ' LEU . 1.8 tm? -39.92 -29.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.733 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 25.0 m -129.31 -53.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.363 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.49 -33.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 554' ' ' MET . 2.8 t0 -59.57 -38.03 80.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 551' ' ' GLN . . . . . 0.759 ' OE1' HD23 ' A' ' 545' ' ' LEU . 1.8 pt20 -61.74 -45.25 94.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.992 HD11 HD22 ' A' ' 545' ' ' LEU . 21.1 mm -74.94 -41.27 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -63.98 -22.63 67.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.465 ' CG ' ' O ' ' A' ' 550' ' ' ASP . 1.7 mmt -87.71 -5.15 58.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 552' ' ' ILE . 45.2 mt -83.67 140.55 41.08 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -75.02 175.26 11.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.424 1.749 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.0 127.52 10.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.79 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 558' ' ' GLU . . . . . 0.626 ' HG3' ' CE1' ' A' ' 535' ' ' HIS . 0.7 OUTLIER 93.66 -15.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.32 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.3 OUTLIER -91.96 -30.46 16.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -50.1 -58.47 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 564' ' ' LEU . 17.5 tt0 -39.4 -35.23 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.527 ' HA ' HD12 ' A' ' 565' ' ' ILE . 6.0 t -43.83 -34.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.499 HG13 HD13 ' A' ' 545' ' ' LEU . 1.7 tp -62.15 -41.63 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.902 ' HA ' HD13 ' A' ' 541' ' ' ILE . 0.7 OUTLIER -58.46 -39.37 79.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 562' ' ' SER . 14.2 mt -66.72 -45.57 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.16 -44.35 84.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.939 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.0 OUTLIER -68.96 -36.69 78.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.41 -40.67 97.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.22 -39.11 91.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.939 HD12 ' HA ' ' A' ' 567' ' ' LYS . 14.9 mt -59.87 -38.26 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -62.02 -37.35 84.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.0 mttt 59.57 165.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 4.9 t -44.2 -61.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 87.7 m -86.85 127.49 35.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 168.12 -104.17 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . 60.81 159.5 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.477 1.777 . . . . 0.0 110.983 -179.99 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 38.7 t60 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.474 ' CG ' ' HB3' ' A' ' 534' ' ' ASP . 12.8 ttp -64.99 113.2 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.463 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 28.7 p -48.4 166.33 0.22 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -74.99 -15.65 20.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -70.15 -40.05 74.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 534' ' ' ASP . . . . . 0.474 ' HB3' ' CG ' ' A' ' 530' ' ' MET . 54.7 t0 -60.38 -36.96 79.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 535' ' ' HIS . 2.0 m170 -67.1 -27.49 67.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -77.69 1.07 21.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.711 ' HB3' HD12 ' A' ' 564' ' ' LEU . 33.9 mmtt -65.7 -22.79 66.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.549 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -69.82 -32.92 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -56.14 -35.01 66.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.959 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -66.71 -31.35 71.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.794 HG21 ' CG ' ' A' ' 567' ' ' LYS . 2.8 mt -96.33 -12.84 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.575 ' SD ' ' NE2' ' A' ' 546' ' ' GLN . 30.6 mmm -57.88 -35.36 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.504 ' HA ' ' CB ' ' A' ' 547' ' ' LEU . 1.2 pt20 -63.35 -39.09 93.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 36.3 t -63.17 -32.17 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -78.52 -96.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.575 ' NE2' ' SD ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -106.41 -34.68 7.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 547' ' ' LEU . 0.2 OUTLIER 80.85 94.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 6.5 m -163.97 -53.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 85.44 -40.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' A' ' 553' ' ' ALA . 4.4 t0 -59.25 -36.67 75.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -61.31 -37.32 82.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.262 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.658 HD13 HD12 ' A' ' 555' ' ' LEU . 1.1 mm -63.34 -27.73 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 550' ' ' ASP . . . -59.15 -22.52 61.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.1 mmt -91.07 2.1 56.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.658 HD12 HD13 ' A' ' 552' ' ' ILE . 16.0 mt -112.39 149.82 41.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -43.0 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.806 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -62.59 -12.78 25.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.4 mt-30 -109.32 -33.19 6.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.541 ' CG ' HG23 ' A' ' 552' ' ' ILE . 1.9 ttp180 -55.53 -70.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.872 ' OE1' HD22 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -53.34 -19.52 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.1 t -50.8 -35.73 33.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.565 HG22 HD13 ' A' ' 541' ' ' ILE . 8.1 mt -61.86 -37.6 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.872 HD22 ' OE1' ' A' ' 561' ' ' GLN . 6.2 tt -68.12 -40.52 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 37.6 mt -62.65 -48.79 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.86 -34.84 77.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.794 ' CG ' HG21 ' A' ' 541' ' ' ILE . 4.9 mmtt -62.38 -37.67 86.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.95 -38.89 92.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -67.07 -39.34 86.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 567' ' ' LYS . 58.9 mt -60.33 -39.61 81.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.76 -43.17 89.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.1 mttt 65.06 168.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 3.2 t -43.12 126.21 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 15.4 t -166.16 143.28 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -41.86 124.25 3.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -114.68 159.26 37.85 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.494 1.787 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -39.74 118.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.405 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.0 OUTLIER -46.26 172.64 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.03 -13.26 21.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 533' ' ' GLN . . . . . 0.412 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 1.0 OUTLIER -69.65 -40.23 76.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.98 -37.59 86.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -72.73 -28.26 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -83.0 5.0 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.651 ' HB3' HD12 ' A' ' 564' ' ' LEU . 5.4 mmtp -63.99 -23.33 67.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.865 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -65.95 -34.43 78.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.486 ' O ' ' OE1' ' A' ' 543' ' ' GLN . . . -63.15 -33.24 75.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.987 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -64.48 -30.15 71.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.543 ' CG2' ' O ' ' A' ' 541' ' ' ILE . 0.4 OUTLIER -108.98 3.53 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.654 ' CE ' ' HB2' ' A' ' 549' ' ' ALA . 6.0 tmm? -66.53 -31.26 71.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.3 OUTLIER -60.62 -47.7 85.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.945 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.41 -34.05 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.944 ' CD2' HD11 ' A' ' 563' ' ' ILE . 0.2 OUTLIER -54.37 -88.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.799 ' HG3' HD12 ' A' ' 545' ' ' LEU . 0.0 OUTLIER -107.56 -26.34 10.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 547' ' ' LEU . 1.5 tt 96.67 22.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 542' ' ' MET . 7.4 m -152.43 144.83 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.435 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.654 ' HB2' ' CE ' ' A' ' 542' ' ' MET . . . -88.98 -24.1 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.33 -39.03 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -68.72 -39.46 80.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.755 HD13 HD12 ' A' ' 555' ' ' LEU . 1.9 mm -70.67 -27.73 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.59 -22.86 64.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.47 -8.81 59.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.755 HD12 HD13 ' A' ' 552' ' ' ILE . 45.7 mt -100.08 146.68 32.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.1 Cg_endo -74.98 173.53 14.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.24 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -66.15 -8.87 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.7 OUTLIER -112.8 -38.66 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.865 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -45.04 -59.42 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.593 ' OE1' HD22 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -57.27 -35.56 69.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -45.09 -34.0 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.947 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.944 HD11 ' CD2' ' A' ' 545' ' ' LEU . 1.8 tt -63.82 -44.1 98.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.651 HD12 ' HB3' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -57.21 -34.42 68.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.14 -46.58 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.48 -44.89 81.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' A' ' 570' ' ' ILE . 2.5 mptt -67.07 -35.03 78.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 1.5 mm-40 -61.15 -36.45 79.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -61.49 -40.82 95.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 567' ' ' LYS . 43.6 mt -60.05 -41.49 86.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.77 -32.02 73.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 28.3 mttt 66.9 89.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 48.2 t -143.54 -62.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 3.4 m 62.53 122.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -156.16 120.85 1.03 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -115.55 94.37 39.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.994 179.973 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 4.7 m170 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.47 115.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.432 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.0 OUTLIER -46.46 171.79 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.404 179.951 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.432 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.5 Cg_endo -74.94 -13.16 21.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 533' ' ' GLN . . . . . 0.416 ' CD ' ' C ' ' A' ' 533' ' ' GLN . 0.6 OUTLIER -69.79 -46.73 65.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 534' ' ' ASP . . . . . 0.492 ' OD2' ' NE2' ' A' ' 561' ' ' GLN . 33.6 t70 -60.54 -39.01 86.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -67.47 -27.03 66.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.588 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -83.11 6.31 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -64.56 -23.4 67.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.67 -32.33 72.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.454 ' HA ' ' SD ' ' A' ' 542' ' ' MET . . . -56.74 -37.68 71.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.876 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.6 OUTLIER -70.57 -33.13 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.546 HD13 ' HA ' ' A' ' 564' ' ' LEU . 6.3 mt -90.46 -9.73 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.593 ' N ' ' O ' ' A' ' 538' ' ' ALA . 1.9 ptt? -66.76 -34.37 77.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.512 ' N ' ' HG2' ' A' ' 542' ' ' MET . 5.8 mt-30 -64.17 -39.5 94.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.9 t -63.36 -32.57 57.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.741 ' HG ' HD11 ' A' ' 563' ' ' ILE . 0.2 OUTLIER -73.76 -97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.444 ' H ' ' NE2' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -106.08 -36.19 7.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 547' ' ' LEU . 0.2 OUTLIER 76.96 98.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 548' ' ' THR . . . . . 0.715 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 47.5 p -157.47 -46.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 86.02 -44.2 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 553' ' ' ALA . 5.6 t0 -63.72 -39.21 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -64.29 -38.79 92.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.723 HG22 ' HD2' ' A' ' 560' ' ' ARG . 12.4 mm -63.85 -26.76 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 550' ' ' ASP . . . -68.16 -22.54 64.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 2.8 mmt -83.74 -8.53 59.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 12.0 mt -74.79 143.15 77.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -75.02 175.01 11.81 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.811 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.504 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.5 Cg_endo -74.96 130.06 12.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 558' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 2.0 mt-10 87.02 -13.15 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 110.356 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.1 OUTLIER -91.6 -30.05 16.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.723 ' HD2' HG22 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -56.26 -60.43 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.492 ' NE2' ' OD2' ' A' ' 534' ' ' ASP . 1.3 tt0 -60.13 -18.6 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 2.7 t -48.7 -35.85 14.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.741 HD11 ' HG ' ' A' ' 545' ' ' LEU . 0.1 OUTLIER -62.18 -42.38 94.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.546 ' HA ' HD13 ' A' ' 541' ' ' ILE . 2.1 tt -59.71 -34.59 73.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 15.0 mm -70.13 -46.08 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -35.46 80.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.765 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.0 OUTLIER -68.67 -45.85 70.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.52 -35.36 77.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 569' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 10.5 mt-30 -63.21 -38.61 91.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 567' ' ' LYS . 30.4 mt -59.37 -41.89 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 571' ' ' GLN . . . . . 0.406 ' OE1' ' CA ' ' A' ' 571' ' ' GLN . 0.9 OUTLIER -64.86 -38.51 91.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt 63.01 83.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 6.3 t -157.41 167.57 29.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 26.4 m -121.55 126.87 50.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.428 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -162.18 178.79 37.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.698 ' HB3' ' HD3' ' A' ' 577' ' ' PRO . . . -59.04 -50.15 89.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 577' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' A' ' 576' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.415 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -38.92 115.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.469 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 70.6 p -41.96 164.88 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.03 -20.18 17.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -39.38 74.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -66.91 -37.19 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -72.56 -25.97 61.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.629 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.57 7.2 46.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.891 ' HB3' HD12 ' A' ' 564' ' ' LEU . 0.5 OUTLIER -70.03 -22.53 63.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.02 -31.12 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.616 ' HB2' HH22 ' A' ' 560' ' ' ARG . . . -53.9 -37.05 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.11 -32.78 70.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.722 HG21 ' CG ' ' A' ' 567' ' ' LYS . 7.2 mm -90.14 -10.24 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.586 ' SD ' HG21 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -60.72 -41.52 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.536 ' O ' ' HA ' ' A' ' 547' ' ' LEU . 2.6 mt-30 -67.13 -47.44 71.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 22.2 t -69.63 -34.77 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 546' ' ' GLN . 3.1 tm? -45.97 -84.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.717 ' N ' HD13 ' A' ' 545' ' ' LEU . 7.3 tm0? -104.49 -38.87 6.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.67 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 5.1 tp 149.2 -20.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 19.7 p -147.17 157.0 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 542' ' ' MET . . . -86.13 -5.43 59.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.494 ' O ' ' HB3' ' A' ' 553' ' ' ALA . 2.6 t0 -62.58 -42.95 99.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -44.54 86.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.602 HD11 ' HG ' ' A' ' 545' ' ' LEU . 1.3 mm -74.45 -22.42 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 550' ' ' ASP . . . -54.27 -21.46 9.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -15.28 60.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.55 152.26 43.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.491 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.1 Cg_endo -75.08 171.76 17.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.03 3.38 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -73.33 -1.88 19.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.8 mt-30 -119.36 -36.33 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.616 HH22 ' HB2' ' A' ' 539' ' ' ALA . 3.0 mtm180 -40.98 -55.01 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 564' ' ' LEU . 5.1 tt0 -46.45 -30.12 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 76.9 p -42.08 -42.06 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.082 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 13.4 mm -59.16 -42.64 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.891 HD12 ' HB3' ' A' ' 537' ' ' LYS . 0.9 OUTLIER -61.6 -39.2 90.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.41 ' N ' HD23 ' A' ' 564' ' ' LEU . 72.4 mt -65.63 -47.42 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -34.54 78.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.795 ' HE2' HD12 ' A' ' 570' ' ' ILE . 2.4 mmtt -61.21 -36.9 81.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.38 -36.29 81.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -67.3 -39.01 85.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 570' ' ' ILE . . . . . 0.795 HD12 ' HE2' ' A' ' 567' ' ' LYS . 66.0 mt -59.76 -41.72 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.98 -39.99 94.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 35.2 mttt 63.28 135.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.2 133.89 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.971 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 1.7 t -162.55 51.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 101.92 59.95 0.77 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.464 ' HB1' ' HD2' ' A' ' 577' ' ' PRO . . . -93.5 163.04 25.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 577' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 576' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 530' ' ' MET . . . . . 0.418 ' HB3' ' CE1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER -37.64 112.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 111.048 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 531' ' ' THR . . . . . 0.464 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 73.2 p -41.83 164.59 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.406 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 532' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -18.77 18.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.56 -39.26 74.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -67.91 -39.23 83.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.418 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 13.3 m-70 -67.36 -26.73 66.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.63 9.65 15.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.48 ' HB2' HD12 ' A' ' 564' ' ' LEU . 2.6 mmtp -68.99 -25.05 64.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.838 ' HB1' ' HB ' ' A' ' 563' ' ' ILE . . . -70.92 -31.27 67.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 539' ' ' ALA . . . . . 0.594 ' O ' ' HE2' ' A' ' 542' ' ' MET . . . -55.55 -36.13 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.442 HD23 HD12 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -67.59 -36.04 80.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.61 HD13 ' HG3' ' A' ' 567' ' ' LYS . 1.9 mt -85.85 -25.2 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 542' ' ' MET . . . . . 0.595 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -56.66 -32.02 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 543' ' ' GLN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 547' ' ' LEU . 20.7 mt-30 -60.91 -41.04 95.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.82 -29.5 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.793 HD22 ' OE1' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -68.75 -78.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.793 ' OE1' HD22 ' A' ' 545' ' ' LEU . 3.1 mp0 -101.72 -37.14 8.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.6 OUTLIER 96.59 16.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 3.0 m -143.59 140.06 29.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.438 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 553' ' ' ALA . . . -88.81 0.82 56.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -64.98 -48.45 73.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 551' ' ' GLN . . . . . 0.421 ' NE2' ' CB ' ' A' ' 546' ' ' GLN . 1.1 mp0 -70.01 -39.17 76.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 542' ' ' MET . 0.9 OUTLIER -70.42 -30.21 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -60.1 -22.77 63.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -4.2 53.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 9.7 mt -92.49 146.9 33.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -74.97 173.07 15.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.39 2.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.779 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -71.73 -3.7 23.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.7 mt-30 -116.64 -37.74 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 560' ' ' ARG . . . . . 0.524 ' O ' ' CB ' ' A' ' 538' ' ' ALA . 2.7 ttp180 -51.79 -62.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 561' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 564' ' ' LEU . 1.6 tt0 -56.34 -26.37 52.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.23 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 562' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.7 t -44.31 -35.47 2.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 563' ' ' ILE . . . . . 0.838 ' HB ' ' HB1' ' A' ' 538' ' ' ALA . 0.5 OUTLIER -61.59 -41.18 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 561' ' ' GLN . 2.0 tt -60.48 -35.42 75.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 15.4 mm -69.01 -46.16 79.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.48 -31.81 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.61 ' HG3' HD13 ' A' ' 541' ' ' ILE . 2.5 mmtt -59.91 -49.0 79.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 6.6 pt-20 -66.48 -34.55 78.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.243 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 569' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -64.98 -37.09 86.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 70.8 mt -57.96 -41.68 80.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 571' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 567' ' ' LYS . 1.3 mp0 -60.56 -40.75 92.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -88.05 66.53 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.55 94.06 4.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 1.1 m -129.65 -61.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 160.04 61.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . 60.99 155.08 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.457 1.767 . . . . 0.0 110.97 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.5 0.19 . . . . 0.0 111.014 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 71.6 p -41.7 164.52 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.355 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.06 -18.42 18.61 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.565 1.823 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.603 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.56 -39.2 74.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.603 ' N ' HE21 ' A' ' 533' ' ' GLN . 10.5 t70 -66.45 -39.32 88.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 557' ' ' PRO . 16.7 m-70 -67.29 -25.74 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -82.2 5.22 20.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.65 ' HB3' HD12 ' A' ' 564' ' ' LEU . 5.1 mmpt? -69.62 -22.35 63.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -69.87 -32.53 70.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.21 -36.73 68.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.4 tp -64.1 -32.71 74.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 1.029 HG22 ' CD1' ' A' ' 545' ' ' LEU . 2.9 mt -99.25 -6.54 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.577 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -65.57 -38.42 89.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.2 OUTLIER -65.43 -46.92 78.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.6 t -70.5 -34.09 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 1.029 ' CD1' HG22 ' A' ' 541' ' ' ILE . 2.6 mp -53.56 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.688 ' O ' HD23 ' A' ' 547' ' ' LEU . 2.2 pm0 -105.51 -27.38 11.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.802 ' O ' HG23 ' A' ' 548' ' ' THR . 0.2 OUTLIER 91.87 37.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.802 HG23 ' O ' ' A' ' 547' ' ' LEU . 1.1 p -162.89 116.63 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.537 ' HB2' ' SD ' ' A' ' 542' ' ' MET . . . -69.82 -22.64 63.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -39.52 91.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -69.11 -42.13 76.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.579 HD11 HD22 ' A' ' 545' ' ' LEU . 0.9 OUTLIER -74.35 -27.54 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -60.76 -29.29 69.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -8.0 55.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 24.2 mt -91.29 150.07 40.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.511 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.3 Cg_endo -75.01 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.534 1.808 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 535' ' ' HIS . 18.3 Cg_endo -75.02 -35.39 3.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -73.05 -2.09 19.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -118.36 -36.13 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.648 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.9 OUTLIER -45.63 -60.03 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -58.29 -27.77 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.6 t -46.93 -34.1 5.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.694 HD12 HD21 ' A' ' 545' ' ' LEU . 40.9 mm -62.14 -36.48 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 537' ' ' LYS . 3.1 tt -67.47 -39.93 85.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.76 -47.55 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -34.99 78.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.748 ' HG3' HG21 ' A' ' 541' ' ' ILE . 1.6 mmtt -61.93 -36.71 82.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.11 -36.62 82.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -62.33 -40.74 97.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.649 HD12 ' HE2' ' A' ' 567' ' ' LYS . 83.2 mt -60.01 -35.28 60.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -64.1 -34.01 77.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 8.6 mttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.464 0.173 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.6 OUTLIER -43.67 167.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -74.99 -19.71 17.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.586 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.88 -40.07 75.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.586 ' N ' HE21 ' A' ' 533' ' ' GLN . 7.2 t70 -66.38 -40.15 89.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -77.22 -34.18 56.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.547 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.57 8.87 31.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.64 ' CB ' HD12 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -69.53 -23.21 63.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -66.75 -32.98 74.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.22 -36.42 70.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.531 HD23 ' CD1' ' A' ' 541' ' ' ILE . 0.0 OUTLIER -68.54 -32.27 72.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.675 ' O ' HD23 ' A' ' 545' ' ' LEU . 2.9 mp -101.5 9.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.586 ' CE ' ' HB2' ' A' ' 549' ' ' ALA . 2.4 tmm? -66.71 -43.59 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -62.84 -38.85 92.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 544' ' ' VAL . 3.1 t -67.92 -33.53 61.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 541' ' ' ILE . 1.9 mm? -55.55 -93.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.74 -18.75 14.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.562 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 93.24 31.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.423 ' OG1' ' C ' ' A' ' 547' ' ' LEU . 2.1 m -154.7 138.76 16.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.586 ' HB2' ' CE ' ' A' ' 542' ' ' MET . . . -84.73 -28.66 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.36 -39.32 90.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -64.61 -40.74 96.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.66 ' HA ' HD12 ' A' ' 555' ' ' LEU . 0.7 OUTLIER -72.29 -32.8 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.33 -22.83 65.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 77.4 mtp -80.24 -10.29 59.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 552' ' ' ILE . 2.4 mt -99.3 151.17 37.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 174.15 13.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -40.41 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.31 -9.07 29.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.8 OUTLIER -109.7 -34.69 6.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -52.84 -59.46 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.263 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -51.89 -28.64 16.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.3 t -45.2 -35.57 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.628 HG12 HD21 ' A' ' 545' ' ' LEU . 8.5 mt -62.22 -40.46 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.64 HD12 ' CB ' ' A' ' 537' ' ' LYS . 2.3 tt -62.02 -38.69 89.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.453 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 18.8 mm -65.57 -47.47 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -33.95 74.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.586 ' HG3' HD13 ' A' ' 541' ' ' ILE . 5.8 mmtt -61.11 -48.01 83.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 10.6 pt-20 -67.93 -35.75 78.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . 0.426 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.5 OUTLIER -62.91 -38.23 90.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 567' ' ' LYS . 24.8 mt -59.09 -38.08 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -60.47 -42.57 96.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.408 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.496 0.189 . . . . 0.0 110.985 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.42 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.3 OUTLIER -44.35 169.16 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -75.02 -19.59 17.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.446 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.67 -39.48 76.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.446 ' N ' HE21 ' A' ' 533' ' ' GLN . 10.5 t70 -65.44 -35.98 82.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -77.26 -29.69 54.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 536' ' ' GLU . 0.4 OUTLIER -83.59 5.0 25.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.728 ' CB ' HD12 ' A' ' 564' ' ' LEU . 1.1 mmpt? -64.23 -23.08 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -68.15 -33.64 74.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.98 -38.24 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 540' ' ' LEU . 2.2 tp -68.22 -33.43 74.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.661 HG23 ' HE3' ' A' ' 567' ' ' LYS . 3.1 mt -92.92 -2.67 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.598 ' SD ' ' HB2' ' A' ' 549' ' ' ALA . 2.9 ttp -66.08 -37.18 85.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.708 ' CB ' HD12 ' A' ' 547' ' ' LEU . 0.2 OUTLIER -63.91 -40.42 96.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.12 -31.98 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 541' ' ' ILE . 0.7 OUTLIER -71.28 -100.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.76 ' NE2' HE22 ' A' ' 551' ' ' GLN . 0.0 OUTLIER -106.07 -25.21 12.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.708 HD12 ' CB ' ' A' ' 543' ' ' GLN . 0.5 OUTLIER 67.92 61.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.874 HG22 ' H ' ' A' ' 550' ' ' ASP . 1.5 m -136.92 -48.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 86.44 -20.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.874 ' H ' HG22 ' A' ' 548' ' ' THR . 20.3 t0 -65.76 -46.29 79.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.76 HE22 ' NE2' ' A' ' 546' ' ' GLN . 0.0 OUTLIER -68.7 -39.31 80.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.743 ' HA ' HD12 ' A' ' 555' ' ' LEU . 1.1 mm -74.81 -28.16 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -64.24 -38.52 91.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 10.6 ptp -81.06 -3.17 50.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 552' ' ' ILE . 36.9 mt -86.97 148.01 44.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.56 14.31 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -40.43 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.62 -8.26 26.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.5 OUTLIER -110.35 -38.69 5.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -50.38 -62.96 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -56.56 -26.9 56.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -46.27 -35.95 5.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.554 ' CD1' HD11 ' A' ' 552' ' ' ILE . 3.1 mt -62.2 -39.36 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.728 HD12 ' CB ' ' A' ' 537' ' ' LYS . 2.9 tt -64.33 -39.46 93.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 15.9 mm -65.49 -47.94 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -33.97 75.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.661 ' HE3' HG23 ' A' ' 541' ' ' ILE . 8.6 mmtt -60.8 -37.29 81.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -62.15 -36.57 82.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.294 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -62.96 -39.07 93.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 567' ' ' LYS . 62.8 mt -61.77 -40.53 87.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.85 -41.53 95.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 19.8 mttt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.509 0.195 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.505 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 44.4 p -43.49 167.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.505 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.05 -13.36 21.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 110.959 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.464 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.3 OUTLIER -70.87 -40.09 72.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.29 -37.18 86.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -68.56 -25.89 65.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -83.92 6.15 22.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 18.0 mtpt -64.06 -24.51 67.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.843 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -70.3 -33.36 71.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.32 -35.83 70.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.94 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -64.21 -32.67 74.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.763 HD13 ' HA ' ' A' ' 564' ' ' LEU . 2.3 mt -98.08 -6.85 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 538' ' ' ALA . 2.6 tmm? -65.64 -43.01 90.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -67.95 -37.38 81.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.8 -33.59 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 567' ' ' LYS . 41.1 tp -73.12 -101.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.495 ' CD ' ' N ' ' A' ' 547' ' ' LEU . 1.7 pp0? -107.62 -30.3 8.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 0.2 OUTLIER 76.36 105.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.694 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 18.5 m -163.06 -47.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 83.96 -45.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -37.94 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.477 ' HG3' HG21 ' A' ' 548' ' ' THR . 18.1 mt-30 -68.24 -39.09 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.775 HD13 HD12 ' A' ' 555' ' ' LEU . 7.2 mm -67.5 -31.17 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.51 67.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 2.6 mmm -78.36 -8.62 58.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.775 HD12 HD13 ' A' ' 552' ' ' ILE . 31.7 mt -99.08 147.31 33.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 174.15 13.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -40.67 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.73 -9.48 28.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -111.55 -36.92 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.843 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 1.1 ttp180 -46.7 -60.62 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.587 ' OE1' HD22 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -63.56 -30.78 71.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . . . . . . . . . 3.1 t -51.49 -34.5 36.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.1 tt -62.31 -41.44 91.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.763 ' HA ' HD13 ' A' ' 541' ' ' ILE . 1.1 tt -58.43 -34.32 70.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 82.8 mt -72.35 -45.82 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -44.84 82.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.808 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.1 OUTLIER -67.32 -35.67 79.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 6.3 mm-40 -60.85 -36.23 78.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.3 -38.52 91.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 567' ' ' LYS . 26.3 mt -59.52 -41.94 86.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.0 -34.69 78.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 2.0 mttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.275 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.411 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.49 0.186 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.452 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 73.2 p -41.9 164.54 0.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.0 -18.77 18.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.605 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.48 -39.29 74.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.605 ' N ' HE21 ' A' ' 533' ' ' GLN . 7.6 t70 -66.99 -37.24 83.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.407 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 1.7 m-70 -74.65 -26.92 60.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.58 9.22 30.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.471 ' CG ' HD12 ' A' ' 564' ' ' LEU . 13.7 tttt -70.11 -22.97 62.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -62.44 -33.56 75.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -57.74 -37.24 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.671 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.9 tp -68.7 -33.36 73.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.85 HG22 HD23 ' A' ' 545' ' ' LEU . 7.0 mm -87.08 -19.37 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.532 ' N ' ' O ' ' A' ' 538' ' ' ALA . 7.5 mtt -58.08 -35.54 71.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -63.85 -48.32 77.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.69 -34.69 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.85 HD23 HG22 ' A' ' 541' ' ' ILE . 0.7 OUTLIER -53.17 -87.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.642 ' O ' HD23 ' A' ' 547' ' ' LEU . 3.0 pm0 -103.86 -32.03 9.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 547' ' ' LEU . 0.3 OUTLIER 88.45 42.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.73 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 3.8 m -147.07 -48.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 88.56 -33.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.599 ' H ' HG22 ' A' ' 548' ' ' THR . 12.0 t0 -59.99 -39.29 85.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -64.59 -43.58 93.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.494 ' HA ' HD12 ' A' ' 555' ' ' LEU . 0.3 OUTLIER -74.77 -25.79 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.59 61.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 7.2 mtp -77.88 -11.53 59.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 552' ' ' ILE . 15.8 mt -86.32 155.27 57.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.08 13.4 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -41.98 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -64.98 -10.03 26.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.556 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.2 mt-30 -106.39 -34.59 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.664 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.8 OUTLIER -43.77 -57.63 3.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -57.99 -29.66 65.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.9 t -47.24 -35.34 7.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.011 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 27.2 mm -62.74 -36.75 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 564' ' ' LEU . 0.9 OUTLIER -67.2 -39.55 86.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.409 ' N ' HD23 ' A' ' 564' ' ' LEU . 16.4 mm -64.06 -47.41 90.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -34.39 76.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.724 ' HE2' HD12 ' A' ' 570' ' ' ILE . 1.9 mmtt -61.41 -42.14 98.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.86 -35.42 78.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . 0.459 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -64.45 -39.04 93.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.724 HD12 ' HE2' ' A' ' 567' ' ' LYS . 96.4 mt -59.71 -40.97 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -60.61 -34.38 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.485 0.183 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.2 OUTLIER -44.5 169.27 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.421 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -74.94 -18.9 18.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.412 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.82 -40.14 76.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.412 ' N ' HE21 ' A' ' 533' ' ' GLN . 4.1 t70 -67.01 -37.03 83.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -75.14 -39.75 60.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -83.08 5.51 22.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.434 ' CG ' HD12 ' A' ' 564' ' ' LEU . 0.4 OUTLIER -64.9 -23.26 67.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.961 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -63.1 -33.26 75.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.52 -38.65 72.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.405 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 2.8 tp -68.55 -33.35 73.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.819 HG22 HD23 ' A' ' 545' ' ' LEU . 2.2 mt -95.59 9.33 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.784 ' SD ' ' HB2' ' A' ' 549' ' ' ALA . 1.1 ttp -66.01 -45.54 81.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.405 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.1 OUTLIER -71.62 -38.74 70.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.97 -32.96 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.819 HD23 HG22 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -73.83 -101.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.497 ' OE1' ' CB ' ' A' ' 548' ' ' THR . 0.3 OUTLIER -107.25 -23.06 12.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.544 HD23 ' HE3' ' A' ' 542' ' ' MET . 0.9 OUTLIER 72.39 92.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.672 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 68.0 m -157.01 -47.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.784 ' HB2' ' SD ' ' A' ' 542' ' ' MET . . . 83.68 -45.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.2 -38.69 80.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.445 ' NE2' ' HG2' ' A' ' 546' ' ' GLN . 13.7 mt-30 -69.11 -39.22 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.745 ' HA ' HD12 ' A' ' 555' ' ' LEU . 3.6 mm -74.65 -27.8 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -74.92 -39.49 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 551' ' ' GLN . 5.5 ppp? -86.14 -5.7 59.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 552' ' ' ILE . 3.5 mt -72.76 153.38 91.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -74.95 173.79 13.89 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -32.84 4.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.546 1.814 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.63 0.03 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.408 ' HA ' ' OG ' ' A' ' 562' ' ' SER . 2.1 mt-30 -119.47 -40.54 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.961 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 1.1 mmm180 -44.8 -56.49 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.1 OUTLIER -76.36 -32.56 58.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.408 ' OG ' ' HA ' ' A' ' 559' ' ' GLN . 19.4 p -44.85 -38.33 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.6 mm -59.84 -40.43 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.538 HD23 ' C ' ' A' ' 564' ' ' LEU . 2.5 tt -64.29 -39.9 94.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.172 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.42 -47.47 91.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -35.19 78.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.764 ' HG3' HG21 ' A' ' 541' ' ' ILE . 1.4 mmtt -65.72 -36.96 85.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.96 -41.87 99.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -66.86 -40.78 87.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.09 -36.89 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.22 -31.99 73.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.235 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 38.0 tttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.723 ' C ' HG23 ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.517 0.199 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.723 HG23 ' C ' ' A' ' 530' ' ' MET . 0.5 OUTLIER 63.07 -173.71 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.06 -16.62 19.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -40.01 75.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.469 ' HB2' ' CB ' ' A' ' 530' ' ' MET . 25.4 t0 -60.35 -37.83 81.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' A' ' 557' ' ' PRO . 93.6 m-70 -80.02 -24.91 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.645 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.83 -4.84 51.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.475 ' HB3' HD12 ' A' ' 564' ' ' LEU . 17.4 mmtt -63.86 -22.86 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.732 ' HB3' ' HG2' ' A' ' 560' ' ' ARG . . . -70.6 -32.96 70.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -53.79 -36.44 62.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.837 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.2 tp -67.95 -31.37 71.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.545 HD12 ' HD2' ' A' ' 567' ' ' LYS . 30.7 mm -88.98 -19.61 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 538' ' ' ALA . 15.7 mtt -56.94 -39.77 75.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -41.59 76.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 48.7 t -64.38 -34.67 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.541 HD23 HG22 ' A' ' 541' ' ' ILE . 0.2 OUTLIER -52.98 -96.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 2.7 pm0 -104.6 -21.23 13.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 90.92 33.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.69 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 90.1 m -130.35 -48.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 85.19 -12.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.634 ' HB2' HG22 ' A' ' 548' ' ' THR . 3.6 t70 -66.22 -42.75 88.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.77 ' H ' ' NE2' ' A' ' 551' ' ' GLN . 2.5 mp0 -61.55 -44.43 97.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 555' ' ' LEU . 1.3 mm -74.55 -26.81 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.26 66.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.485 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 2.0 ppp? -81.17 -5.84 58.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 552' ' ' ILE . 40.8 mt -95.15 151.13 38.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.18 11.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.425 ' O ' ' ND1' ' A' ' 535' ' ' HIS . 18.3 Cg_endo -75.0 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -61.32 -13.45 19.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.1 mt-30 -106.24 -34.04 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.732 ' HG2' ' HB3' ' A' ' 538' ' ' ALA . 0.8 OUTLIER -46.21 -58.94 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.592 HE22 HD11 ' A' ' 565' ' ' ILE . 0.0 OUTLIER -54.08 -29.54 44.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.1 t -51.6 -34.64 38.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 50.1 mm -62.61 -39.47 84.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.532 HD23 ' C ' ' A' ' 564' ' ' LEU . 1.3 tt -60.61 -39.04 86.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.592 HD11 HE22 ' A' ' 561' ' ' GLN . 75.9 mt -66.89 -46.71 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -34.29 77.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.545 ' HD2' HD12 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -60.71 -36.8 79.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.32 -40.69 98.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -67.79 -38.64 83.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.537 HD12 ' HE2' ' A' ' 567' ' ' LYS . 74.0 mt -59.33 -34.87 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -60.58 -31.88 71.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.57 ' HB3' ' CE1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.501 0.191 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.461 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 70.7 p -41.71 164.51 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.06 -17.86 19.07 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.809 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.618 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.47 -38.88 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.618 ' N ' HE21 ' A' ' 533' ' ' GLN . 26.4 t70 -62.02 -44.25 97.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 20.1 m-70 -67.5 -26.42 66.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.57 3.89 26.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.874 ' O ' HD12 ' A' ' 541' ' ' ILE . 25.8 mmtt -64.39 -22.92 67.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.97 -31.13 69.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.486 ' O ' ' CG ' ' A' ' 542' ' ' MET . . . -56.33 -44.5 80.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.6 OUTLIER -68.53 -41.59 79.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.874 HD12 ' O ' ' A' ' 537' ' ' LYS . 2.7 mt -81.37 -4.2 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.601 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -66.86 -33.64 76.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 5.7 mt-30 -63.51 -46.78 84.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 33.6 t -63.5 -32.24 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 541' ' ' ILE . 2.8 mm? -67.29 -99.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.413 HE21 ' N ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -107.41 -23.76 12.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.762 ' O ' HG23 ' A' ' 548' ' ' THR . 4.8 tp 66.64 84.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 547' ' ' LEU . 1.4 p -161.54 -44.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 84.65 -44.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -59.68 -38.83 82.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.67 -38.82 90.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.92 -28.59 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.87 70.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 4.5 mmt -81.84 -3.59 54.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 11.7 mt -94.29 146.14 31.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.4 Cg_endo -74.97 173.51 14.39 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.7 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -68.66 -6.36 25.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.2 mt-30 -114.69 -38.09 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 2.5 ttp180 -51.56 -62.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -24.82 56.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -47.35 -37.38 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.421 HG22 HD13 ' A' ' 541' ' ' ILE . 3.2 mt -62.2 -41.21 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.581 HD12 ' CB ' ' A' ' 537' ' ' LYS . 1.3 tt -60.48 -34.01 73.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.467 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 4.0 mm -69.81 -46.56 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -33.72 74.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.608 ' HG3' HG21 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -60.87 -48.21 82.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 7.5 pt-20 -67.65 -35.45 78.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -63.3 -38.03 89.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 567' ' ' LYS . 54.4 mt -58.85 -40.81 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.0 -43.23 96.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.734 ' C ' HG23 ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.492 0.187 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.734 HG23 ' C ' ' A' ' 530' ' ' MET . 0.6 OUTLIER 64.74 -172.54 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -16.76 20.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.558 1.82 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 537' ' ' LYS . 0.0 OUTLIER -69.55 -39.87 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -67.01 -41.34 86.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -77.42 -26.35 51.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.632 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 24.7 tt0 -99.07 7.39 45.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 533' ' ' GLN . 5.9 mttt -69.88 -22.26 63.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.738 ' HB3' ' HG2' ' A' ' 560' ' ' ARG . . . -64.95 -33.72 76.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.465 ' HA ' ' CB ' ' A' ' 542' ' ' MET . . . -57.21 -36.51 70.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 1.023 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.2 OUTLIER -59.38 -33.28 71.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.51 HG21 ' CG ' ' A' ' 567' ' ' LYS . 3.3 mt -97.81 -14.22 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.561 ' CE ' ' HB2' ' A' ' 549' ' ' ALA . 12.4 tmm? -58.63 -34.37 71.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.5 OUTLIER -62.0 -44.49 96.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.51 -33.38 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.85 HD12 ' HG3' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -56.14 -89.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.85 ' HG3' HD12 ' A' ' 545' ' ' LEU . 0.0 OUTLIER -108.05 -35.18 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.717 ' O ' HG23 ' A' ' 548' ' ' THR . 2.9 tp 99.46 33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 547' ' ' LEU . 1.6 p -160.75 111.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.561 ' HB2' ' CE ' ' A' ' 542' ' ' MET . . . -63.79 -12.92 39.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.61 -45.78 92.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -68.86 -39.67 79.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.551 HG22 ' HD2' ' A' ' 560' ' ' ARG . 2.3 mm -73.45 -25.3 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -59.16 -22.21 60.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.491 ' C ' HD23 ' A' ' 555' ' ' LEU . 39.2 mtt -69.96 -21.62 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.685 HD23 ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -98.07 146.22 31.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.2 Cg_endo -75.01 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -66.34 -8.82 27.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.534 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.0 mt-30 -115.47 -39.12 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.738 ' HG2' ' HB3' ' A' ' 538' ' ' ALA . 1.2 ttp180 -41.44 -56.86 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -42.32 -33.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 57.0 p -43.4 -39.99 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.464 HD11 ' CD2' ' A' ' 545' ' ' LEU . 0.1 OUTLIER -59.94 -43.19 91.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.521 HD23 ' C ' ' A' ' 564' ' ' LEU . 1.0 OUTLIER -59.38 -35.59 74.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 24.7 mt -72.19 -44.99 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -44.82 85.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.782 ' HA ' HD12 ' A' ' 570' ' ' ILE . 4.1 tptt -68.88 -36.58 78.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 15.3 mm-40 -60.99 -36.04 78.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -62.6 -38.16 89.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 567' ' ' LYS . 30.8 mt -59.21 -41.88 85.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.12 -39.94 90.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.545 ' CE ' ' NE2' ' A' ' 535' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.474 0.178 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.545 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 30.0 p -43.93 169.94 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.545 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.07 -22.4 14.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.625 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -71.61 -38.73 70.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.625 ' N ' HE21 ' A' ' 533' ' ' GLN . 6.9 t70 -61.56 -37.68 84.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 557' ' ' PRO . 1.3 m-70 -75.01 -34.1 61.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -89.47 11.31 19.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.755 ' CD ' HD12 ' A' ' 564' ' ' LEU . 1.8 tttt -70.71 -23.05 62.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -62.24 -32.41 73.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.469 ' HA ' ' CE ' ' A' ' 542' ' ' MET . . . -56.2 -38.13 70.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.941 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.6 OUTLIER -68.92 -31.28 70.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 541' ' ' ILE . 5.6 mt -96.89 7.11 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.469 ' CE ' ' HA ' ' A' ' 539' ' ' ALA . 0.0 OUTLIER -65.61 -44.86 85.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -65.75 -39.19 90.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 7.8 t -65.18 -33.24 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.477 ' CD2' ' OE1' ' A' ' 546' ' ' GLN . 63.3 tp -68.36 -99.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.546 ' CB ' ' NE2' ' A' ' 551' ' ' GLN . 3.2 pm0 -105.64 -34.97 7.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.489 ' N ' ' HG2' ' A' ' 546' ' ' GLN . 0.0 OUTLIER 84.63 74.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.764 HG22 ' H ' ' A' ' 550' ' ' ASP . 1.2 m -168.18 -41.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.46 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.764 ' H ' HG22 ' A' ' 548' ' ' THR . 0.4 OUTLIER -60.4 -39.38 87.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.546 ' NE2' ' CB ' ' A' ' 546' ' ' GLN . 19.0 mt-30 -69.05 -39.38 79.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.625 HD11 HD12 ' A' ' 563' ' ' ILE . 0.9 OUTLIER -74.5 -28.23 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -60.38 -30.39 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.5 -5.94 51.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 3.7 mt -95.25 143.86 26.83 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -75.03 173.57 14.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.603 ' O ' ' CE1' ' A' ' 535' ' ' HIS . 18.4 Cg_endo -75.0 -37.29 2.09 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.511 1.795 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -70.47 -4.78 24.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.5 mt-30 -117.33 -39.79 3.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.58 -56.36 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -57.46 -32.63 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.8 t -45.16 -34.08 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.625 HD12 HD11 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -62.52 -40.04 86.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.755 HD12 ' CD ' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -59.89 -36.61 77.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.632 HD13 ' CD2' ' A' ' 564' ' ' LEU . 22.1 mm -71.66 -44.82 69.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -45.44 85.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.555 ' HA ' HD12 ' A' ' 570' ' ' ILE . 5.6 tptp -69.77 -37.56 76.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.13 -37.73 86.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.58 -38.96 89.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 567' ' ' LYS . 31.0 mt -63.88 -38.5 82.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.6 -35.53 79.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.715 ' C ' HG23 ' A' ' 531' ' ' THR . 9.0 mtm . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.527 0.203 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.715 HG23 ' C ' ' A' ' 530' ' ' MET . 0.5 OUTLIER 62.57 -174.92 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.547 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.6 Cg_endo -74.89 -18.93 18.62 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.439 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -67.43 -38.21 84.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.462 ' CB ' ' HB3' ' A' ' 530' ' ' MET . 37.2 t70 -59.19 -38.81 80.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -70.57 -26.77 63.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.49 8.27 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.48 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 7.2 mmmt -70.13 -22.57 62.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.503 ' HB2' ' HA ' ' A' ' 561' ' ' GLN . . . -63.59 -32.33 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -55.39 -37.61 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.611 ' O ' HD12 ' A' ' 540' ' ' LEU . 2.3 tp -69.15 -33.13 72.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.64 HG23 ' HG2' ' A' ' 567' ' ' LYS . 3.0 mm -83.77 -23.01 8.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.541 ' HE1' ' HB2' ' A' ' 549' ' ' ALA . 3.4 tmm? -57.02 -35.44 69.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 540' ' ' LEU . 2.9 mt-30 -69.36 -38.17 77.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.9 t -61.97 -33.51 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.84 -103.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' A' ' 547' ' ' LEU . 2.9 pp0? -107.88 -24.29 11.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.771 ' C ' HD12 ' A' ' 547' ' ' LEU . 0.1 OUTLIER 79.28 102.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.706 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 1.2 m -170.85 -43.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 86.56 -35.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.644 ' H ' HG22 ' A' ' 548' ' ' THR . 2.1 t0 -59.35 -37.0 76.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.414 ' NE2' ' HG2' ' A' ' 546' ' ' GLN . 1.1 mt-30 -61.27 -45.31 95.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.631 HD11 HD12 ' A' ' 563' ' ' ILE . 1.2 mp -75.84 -30.75 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.91 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 551' ' ' GLN . 2.9 ptm -79.82 -0.5 34.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 4.8 mt -106.54 146.96 34.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -74.93 174.63 12.43 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -37.96 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -69.12 -6.8 30.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.6 mt-30 -119.01 -35.45 3.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.528 ' CG ' HG23 ' A' ' 552' ' ' ILE . 0.1 OUTLIER -45.31 -71.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.627 ' NE2' HD11 ' A' ' 565' ' ' ILE . 0.0 OUTLIER -47.85 -33.95 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.7 OUTLIER -44.14 -35.65 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.631 HD12 HD11 ' A' ' 552' ' ' ILE . 0.1 OUTLIER -62.04 -43.89 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.568 HD23 ' C ' ' A' ' 564' ' ' LEU . 1.7 tt -59.65 -38.67 82.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.627 HD11 ' NE2' ' A' ' 561' ' ' GLN . 50.8 mt -69.93 -44.18 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -37.98 89.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.926 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.5 OUTLIER -69.24 -40.77 77.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.53 -35.27 77.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . 0.455 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 3.5 mt-30 -62.08 -38.57 89.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.926 HD12 ' HA ' ' A' ' 567' ' ' LYS . 16.1 mt -59.54 -41.7 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 567' ' ' LYS . 1.4 mt-30 -61.26 -40.13 92.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 2.2 tttm . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.515 0.197 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.419 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.7 OUTLIER -43.17 167.09 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.04 -20.55 16.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.604 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.95 -40.06 75.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.604 ' N ' HE21 ' A' ' 533' ' ' GLN . 6.9 t70 -63.09 -37.69 88.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -77.49 -25.86 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.617 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -97.42 8.32 44.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.728 ' CB ' HD12 ' A' ' 564' ' ' LEU . 0.1 OUTLIER -69.78 -22.48 63.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.21 -32.29 72.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.538 ' O ' ' HE2' ' A' ' 542' ' ' MET . . . -56.89 -38.48 72.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.431 ' HA ' ' NE2' ' A' ' 543' ' ' GLN . 2.9 tp -69.18 -35.21 76.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.961 HG22 HD12 ' A' ' 545' ' ' LEU . 13.8 mm -84.15 -22.57 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.888 ' SD ' ' HB2' ' A' ' 549' ' ' ALA . 0.0 OUTLIER -58.33 -32.86 68.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.492 ' N ' ' HG2' ' A' ' 542' ' ' MET . 3.5 mt-30 -63.34 -49.72 72.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.1 -34.09 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.961 HD12 HG22 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -55.88 -86.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.625 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.71 -31.85 9.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.625 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 98.28 14.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.97 128.43 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.888 ' HB2' ' SD ' ' A' ' 542' ' ' MET . . . -80.66 -0.97 40.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.45 -47.15 87.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.429 ' NE2' ' HB2' ' A' ' 546' ' ' GLN . 1.8 mp0 -69.01 -39.4 79.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 1.114 HD13 HD12 ' A' ' 555' ' ' LEU . 8.0 mm -68.07 -32.78 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.2 -32.36 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.08 -2.68 58.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 1.114 HD12 HD13 ' A' ' 552' ' ' ILE . 87.4 mt -95.79 147.38 32.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.71 14.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.556 1.819 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -40.42 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.04 -9.04 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -111.19 -37.39 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.451 ' CD ' HG23 ' A' ' 552' ' ' ILE . 2.9 ttp180 -54.29 -67.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.422 ' NE2' HG13 ' A' ' 565' ' ' ILE . 0.1 OUTLIER -54.14 -18.88 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.9 OUTLIER -56.16 -34.86 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 13.3 mt -62.29 -38.84 82.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.728 HD12 ' CB ' ' A' ' 537' ' ' LYS . 2.8 tt -60.53 -37.93 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.422 HG13 ' NE2' ' A' ' 561' ' ' GLN . 85.6 mt -66.71 -47.59 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -35.1 78.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.626 ' CG ' HG21 ' A' ' 541' ' ' ILE . 2.9 mmtt -61.63 -36.83 81.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.81 -37.74 88.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -64.98 -39.76 93.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.64 -36.99 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 567' ' ' LYS . 1.4 mp0 -65.84 -38.51 89.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 6.5 mttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.542 0.21 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.425 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.7 OUTLIER -52.82 167.0 0.42 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -74.99 -9.18 20.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.425 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 3.6 pp0? -70.54 -39.24 74.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -61.35 -40.91 96.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -74.23 -25.97 59.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.589 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -85.24 4.37 35.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.699 ' HB3' HD12 ' A' ' 564' ' ' LEU . 3.0 mmpt? -63.99 -23.2 67.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -62.44 -34.28 76.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -63.68 -36.97 85.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.452 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 0.0 OUTLIER -68.32 -33.11 73.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.881 HD13 ' HA ' ' A' ' 564' ' ' LEU . 0.5 OUTLIER -89.56 -17.66 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.81 ' CE ' HD13 ' A' ' 552' ' ' ILE . 4.4 mmt -58.22 -35.48 71.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.523 ' HA ' ' CB ' ' A' ' 547' ' ' LEU . 1.3 mt-30 -66.5 -38.28 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 36.3 t -62.01 -32.76 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.647 HD21 ' HD3' ' A' ' 567' ' ' LYS . 4.5 mm? -78.52 -98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.614 ' NE2' ' N ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -106.55 -30.6 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.614 ' N ' ' NE2' ' A' ' 546' ' ' GLN . 0.0 OUTLIER 78.85 92.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.731 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 17.4 m -160.98 -44.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.36 -34.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.601 ' HB2' HG22 ' A' ' 548' ' ' THR . 0.5 OUTLIER -59.19 -36.81 76.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -45.16 95.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.81 HD13 ' CE ' ' A' ' 542' ' ' MET . 0.5 OUTLIER -75.18 -33.04 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.18 -22.44 60.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 3.1 mmm -84.25 -5.41 59.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 20.4 mt -106.82 155.2 39.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.58 12.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.91 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.13 -9.48 31.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.6 mt-30 -116.44 -35.99 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -42.13 -60.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -31.65 67.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.9 t -46.58 -35.51 5.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.8 tp -62.38 -43.88 98.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.881 ' HA ' HD13 ' A' ' 541' ' ' ILE . 1.4 tt -58.95 -39.49 81.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.464 HG22 HE21 ' A' ' 569' ' ' GLN . 85.9 mt -65.03 -45.39 94.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -38.41 79.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.841 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.0 OUTLIER -69.88 -48.55 58.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -65.06 -33.26 75.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . 0.519 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 6.8 mt-30 -61.59 -38.23 86.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.841 HD12 ' HA ' ' A' ' 567' ' ' LYS . 11.1 mt -59.07 -36.42 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -60.38 -42.87 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 10.1 mttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.781 ' C ' HG23 ' A' ' 531' ' ' THR . 1.5 ttp . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.509 0.195 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.781 HG23 ' C ' ' A' ' 530' ' ' MET . 0.8 OUTLIER 68.61 178.2 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.01 -18.94 18.29 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.474 1.776 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -39.59 79.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 530' ' ' MET . 24.4 t0 -61.69 -49.71 75.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 558' ' ' GLU . 95.2 m-70 -67.81 -25.67 65.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -78.28 0.44 25.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.565 ' HB3' HD13 ' A' ' 564' ' ' LEU . 0.2 OUTLIER -64.1 -22.82 67.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.525 ' HB3' ' HG2' ' A' ' 560' ' ' ARG . . . -69.35 -27.88 65.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -50.77 -37.28 41.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.705 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.5 tp -61.86 -32.58 72.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.703 HD12 ' HD2' ' A' ' 567' ' ' LYS . 3.1 mm -95.55 -15.15 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 546' ' ' GLN . 28.8 ttm -58.3 -32.27 68.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.3 OUTLIER -61.59 -42.96 99.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.37 -42.5 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.462 ' HB3' HD11 ' A' ' 552' ' ' ILE . 0.2 OUTLIER -93.41 19.47 8.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -84.72 -6.98 59.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 5.3 tt -39.59 -29.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.73 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 0.7 OUTLIER -135.19 -49.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.408 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.03 -32.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -59.67 -37.79 79.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.43 ' O ' ' HG ' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -62.75 -45.32 93.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.462 HD11 ' HB3' ' A' ' 545' ' ' LEU . 3.0 mm -74.5 -41.56 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.4 -22.27 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.4 mmm -80.6 -9.69 59.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 551' ' ' GLN . 16.3 mt -103.9 147.5 34.38 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -74.92 175.39 11.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 556' ' ' PRO . 18.3 Cg_endo -75.03 -38.6 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . 0.445 ' HA ' ' CE1' ' A' ' 535' ' ' HIS . 25.9 tt0 -69.0 -6.0 25.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.4 mt-30 -116.99 -35.84 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.525 ' HG2' ' HB3' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -40.85 -56.25 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.5 OUTLIER -47.81 -34.47 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 4.9 t -45.89 -33.58 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 563' ' ' ILE . 10.8 mm -61.54 -39.19 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.687 HD23 HD13 ' A' ' 565' ' ' ILE . 1.4 tt -60.68 -34.55 74.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.687 HD13 HD23 ' A' ' 564' ' ' LEU . 18.7 mm -71.93 -45.56 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -45.47 83.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.812 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.1 OUTLIER -69.34 -35.94 76.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 2.6 tt0 -60.66 -35.59 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -65.09 -37.88 88.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 567' ' ' LYS . 32.4 mt -58.78 -35.91 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -61.86 -32.6 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 15.5 tttp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.765 ' C ' HG23 ' A' ' 531' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.509 0.195 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.765 HG23 ' C ' ' A' ' 530' ' ' MET . 1.5 p 72.11 179.5 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -36.55 2.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -55.67 -37.29 68.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 530' ' ' MET . 12.3 t0 -58.74 -45.55 89.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 561' ' ' GLN . 56.1 m-70 -78.01 -25.85 48.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.636 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.8 -0.89 55.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.647 ' CB ' HD12 ' A' ' 564' ' ' LEU . 0.7 OUTLIER -68.21 -23.1 64.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.783 ' HB3' ' HG2' ' A' ' 560' ' ' ARG . . . -71.78 -30.5 65.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.405 ' HA ' ' HB2' ' A' ' 542' ' ' MET . . . -53.78 -40.97 66.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.5 tp -67.61 -34.16 76.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.765 HG22 HD23 ' A' ' 545' ' ' LEU . 6.3 mm -92.28 6.35 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.471 ' SD ' ' CG2' ' A' ' 552' ' ' ILE . 2.7 ttp -65.92 -45.02 83.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -68.11 -39.27 82.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 31.2 t -68.05 -33.69 62.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.765 HD23 HG22 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -55.4 -96.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.548 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.32 -15.89 15.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.548 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER 91.69 29.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.401 ' OG1' ' C ' ' A' ' 547' ' ' LEU . 2.4 m -153.47 139.7 18.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 553' ' ' ALA . . . -90.11 -20.24 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.88 -38.61 86.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -68.68 -45.62 71.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.696 ' HA ' HD12 ' A' ' 555' ' ' LEU . 0.2 OUTLIER -74.58 -30.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -61.11 -23.43 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.88 -0.84 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 552' ' ' ILE . 40.3 mt -99.17 150.13 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.59 12.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -43.56 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.781 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.1 -13.03 22.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -104.67 -37.92 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.783 ' HG2' ' HB3' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -54.29 -62.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.435 ' CG ' ' OD1' ' A' ' 534' ' ' ASP . 0.4 OUTLIER -50.79 -28.71 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.249 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.631 ' HA ' HD12 ' A' ' 565' ' ' ILE . 0.3 OUTLIER -50.62 -32.53 19.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.406 HD13 ' HG ' ' A' ' 545' ' ' LEU . 19.6 mt -65.15 -38.5 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.647 HD12 ' CB ' ' A' ' 537' ' ' LYS . 1.1 tt -61.43 -38.72 88.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 562' ' ' SER . 24.6 mt -64.9 -47.96 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -35.61 78.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.172 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.853 ' HA ' HD12 ' A' ' 570' ' ' ILE . 4.5 mmtt -62.02 -41.03 97.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -63.47 -36.5 83.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -64.92 -38.99 92.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 567' ' ' LYS . 20.9 mt -59.72 -38.86 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -33.46 76.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.5 mttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.555 0.217 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.449 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 68.3 p -41.42 164.01 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -74.99 -19.68 17.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.626 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.57 -39.19 74.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.626 ' N ' HE21 ' A' ' 533' ' ' GLN . 9.7 t0 -62.86 -48.9 77.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.485 ' C ' ' ND1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER -67.08 -25.48 66.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -76.93 -0.86 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.651 ' CB ' HD12 ' A' ' 564' ' ' LEU . 3.1 mmpt? -63.63 -22.58 66.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.71 -32.39 72.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 542' ' ' MET . . . -57.0 -38.03 72.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 540' ' ' LEU . 2.1 tp -68.87 -39.16 79.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.606 HG21 ' HG3' ' A' ' 567' ' ' LYS . 10.1 mm -80.98 -21.91 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.596 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -58.4 -33.29 69.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.491 ' N ' ' HG2' ' A' ' 542' ' ' MET . 3.5 mt-30 -68.37 -48.22 65.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 17.9 t -71.44 -33.95 51.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.983 HD23 ' CD ' ' A' ' 546' ' ' GLN . 6.1 tp -54.46 -87.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.983 ' CD ' HD23 ' A' ' 545' ' ' LEU . 0.0 OUTLIER -104.46 -30.29 10.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.634 ' O ' HD23 ' A' ' 547' ' ' LEU . 2.3 tt 93.33 24.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 3.0 p -144.73 104.4 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' A' ' 553' ' ' ALA . . . -62.83 -15.89 56.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.45 -42.41 87.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -65.44 -45.48 83.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.807 HD11 HD22 ' A' ' 545' ' ' LEU . 0.6 OUTLIER -74.8 -26.16 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -60.6 -22.47 63.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.91 -10.88 59.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.74 140.03 67.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 174.68 12.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.6 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.02 128.86 11.8 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 0.7 OUTLIER 95.9 -22.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.81 -30.66 24.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.487 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 5.5 mtm180 -60.52 -58.2 9.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -38.86 -29.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 560' ' ' ARG . 7.8 t -44.57 -36.79 3.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.444 HD12 HD13 ' A' ' 545' ' ' LEU . 4.1 mm -61.83 -40.33 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.651 HD12 ' CB ' ' A' ' 537' ' ' LYS . 2.5 tt -62.96 -38.89 92.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 19.2 mm -65.16 -46.85 89.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.72 -35.01 79.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.612 ' HE2' HD12 ' A' ' 570' ' ' ILE . 0.1 OUTLIER -61.5 -36.81 81.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.08 -36.39 81.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -40.52 87.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.612 HD12 ' HE2' ' A' ' 567' ' ' LYS . 62.6 mt -59.54 -37.84 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -65.9 -36.52 83.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 4.5 mttm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.481 0.182 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.608 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.6 OUTLIER -90.8 -171.63 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.608 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -74.98 -16.33 20.31 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 111.025 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.42 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.5 OUTLIER -70.37 -45.72 65.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 537' ' ' LYS . 19.6 t70 -65.07 -37.64 88.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -78.59 -25.97 45.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.609 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 28.9 tt0 -96.36 9.12 42.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.867 ' CB ' HD12 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -69.62 -22.77 63.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -68.12 -31.71 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -56.38 -36.7 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.894 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.8 OUTLIER -70.19 -33.24 71.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 537' ' ' LYS . 3.4 mt -93.63 -0.17 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.734 ' CE ' ' HB1' ' A' ' 549' ' ' ALA . 0.0 OUTLIER -65.56 -44.49 86.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.521 ' HB2' HD12 ' A' ' 547' ' ' LEU . 0.1 OUTLIER -70.33 -37.97 74.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 44.1 t -63.0 -32.81 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 545' ' ' LEU . 0.2 OUTLIER -61.54 -81.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.223 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.673 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.9 OUTLIER -105.27 -36.87 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.673 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 14.8 tp 103.35 15.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.698 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 55.2 m -129.74 -40.42 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.734 ' HB1' ' CE ' ' A' ' 542' ' ' MET . . . 84.47 -8.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.591 ' HB2' HG22 ' A' ' 548' ' ' THR . 2.1 t0 -60.27 -40.7 91.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.418 ' CD ' ' H ' ' A' ' 551' ' ' GLN . 4.0 mp0 -69.36 -45.14 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.653 HG21 ' HG3' ' A' ' 542' ' ' MET . 2.8 mm -68.36 -27.12 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.67 -22.97 64.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.4 mmm -91.48 -1.28 57.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.609 HD12 HD13 ' A' ' 552' ' ' ILE . 11.4 mt -92.43 146.74 33.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.13 13.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.32 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -67.31 -8.14 29.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.2 mt-30 -114.73 -36.99 4.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -46.36 -58.8 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.492 HE22 HD11 ' A' ' 565' ' ' ILE . 0.5 OUTLIER -56.7 -29.98 63.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.0 OUTLIER -47.96 -29.23 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 541' ' ' ILE . 0.1 OUTLIER -67.29 -37.45 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.867 HD12 ' CB ' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -59.99 -34.93 74.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.492 HD11 HE22 ' A' ' 561' ' ' GLN . 82.4 mt -72.36 -44.41 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -44.79 90.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.926 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.0 OUTLIER -68.42 -39.03 81.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.41 -36.01 79.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -65.94 -38.26 88.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.926 HD12 ' HA ' ' A' ' 567' ' ' LYS . 23.7 mt -59.13 -40.9 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.97 -32.39 73.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.516 0.198 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.87 175.65 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -15.17 21.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.616 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -68.93 -42.0 77.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.616 ' N ' HE21 ' A' ' 533' ' ' GLN . 10.1 t70 -69.26 -37.77 78.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -26.38 66.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.571 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -84.38 7.35 19.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.642 ' O ' HD23 ' A' ' 540' ' ' LEU . 28.6 mmtt -66.47 -23.03 66.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -67.7 -33.66 75.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.453 ' O ' ' HE3' ' A' ' 542' ' ' MET . . . -58.52 -36.33 73.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 537' ' ' LYS . 0.4 OUTLIER -65.96 -33.47 75.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.52 HG21 ' HG3' ' A' ' 567' ' ' LYS . 5.2 mt -91.45 -17.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 538' ' ' ALA . 6.7 tmm? -58.95 -35.55 73.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 1.4 mt-30 -63.85 -48.9 74.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.34 -33.65 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.977 HD23 ' CD ' ' A' ' 546' ' ' GLN . 6.3 tp -55.27 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.977 ' CD ' HD23 ' A' ' 545' ' ' LEU . 0.0 OUTLIER -104.77 -31.37 9.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.605 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 1.4 tp 96.4 32.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 547' ' ' LEU . 3.0 p -155.4 132.58 10.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 553' ' ' ALA . . . -82.53 -24.1 34.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -60.96 -39.43 89.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.14 -44.29 84.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.549 HG23 HD12 ' A' ' 555' ' ' LEU . 0.4 OUTLIER -73.97 -29.14 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -61.25 -22.7 65.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -83.24 -5.96 59.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.549 HD12 HG23 ' A' ' 552' ' ' ILE . 87.9 mt -78.37 142.43 62.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 174.53 12.63 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.6 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.4 Cg_endo -74.98 128.8 11.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 1.2 tt0 94.22 -17.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.0 OUTLIER -88.07 -30.73 19.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.432 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 14.8 mtm180 -61.57 -62.06 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.464 ' OE1' HD22 ' A' ' 564' ' ' LEU . 0.1 OUTLIER -49.76 -22.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.482 ' HA ' HD12 ' A' ' 565' ' ' ILE . 1.4 t -51.71 -33.08 32.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.75 HD11 HD13 ' A' ' 545' ' ' LEU . 0.2 OUTLIER -63.81 -39.97 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 537' ' ' LYS . 2.6 tt -59.46 -34.15 72.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 562' ' ' SER . 44.3 mt -72.18 -45.8 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -34.78 78.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.52 ' HG3' HG21 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -61.17 -41.05 96.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.87 -34.09 75.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . 0.503 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 78.6 mt-30 -65.17 -38.96 92.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 567' ' ' LYS . 57.9 mt -59.7 -37.85 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.83 -43.38 93.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.52 0.2 . . . . 0.0 111.021 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.519 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 51.4 p -43.3 167.37 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.446 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.519 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.05 -13.22 21.37 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.463 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.1 OUTLIER -71.25 -40.09 71.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 537' ' ' LYS . 17.5 t0 -65.63 -37.72 87.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -68.02 -26.31 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.564 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.34 9.35 18.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 534' ' ' ASP . 0.4 OUTLIER -68.83 -23.1 64.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -63.88 -30.83 71.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.53 ' HA ' ' CG ' ' A' ' 542' ' ' MET . . . -54.71 -33.89 61.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.962 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -65.6 -28.29 69.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.683 HD13 ' HB3' ' A' ' 567' ' ' LYS . 8.0 mt -111.75 8.05 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.55 ' CE ' ' NH1' ' A' ' 560' ' ' ARG . 6.1 mtt -66.95 -32.71 74.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -60.67 -41.08 94.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.7 -43.24 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 1.03 ' CD2' HD11 ' A' ' 552' ' ' ILE . 0.1 OUTLIER -95.74 24.05 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 109.348 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -92.44 -6.3 50.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER -37.98 -31.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.698 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 23.6 m -133.35 -51.92 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 85.78 -21.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 554' ' ' MET . 6.6 t0 -66.48 -37.97 86.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.414 ' NE2' ' HB ' ' A' ' 548' ' ' THR . 0.0 OUTLIER -68.13 -45.66 73.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 1.03 HD11 ' CD2' ' A' ' 545' ' ' LEU . 9.4 mm -72.75 -41.92 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 549' ' ' ALA . . . -63.47 -39.02 93.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 550' ' ' ASP . 2.2 mmt -79.28 -8.55 59.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 552' ' ' ILE . 5.8 mt -81.27 148.87 64.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.4 Cg_endo -75.02 173.53 14.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.42 ' HA ' ' HG3' ' A' ' 560' ' ' ARG . 18.5 Cg_endo -74.97 -34.26 4.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.75 0.79 16.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 562' ' ' SER . 0.6 OUTLIER -121.17 -37.6 2.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.55 ' NH1' ' CE ' ' A' ' 542' ' ' MET . 0.6 OUTLIER -38.73 -55.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 564' ' ' LEU . 1.0 OUTLIER -61.62 -34.09 75.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 559' ' ' GLN . 1.5 t -45.15 -32.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.551 ' CG1' HD13 ' A' ' 545' ' ' LEU . 1.5 tp -61.95 -40.66 88.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.589 HD23 ' C ' ' A' ' 564' ' ' LEU . 0.9 OUTLIER -58.4 -36.6 73.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 74.1 mt -72.23 -45.32 62.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.47 -45.16 84.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.784 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.2 OUTLIER -68.92 -37.56 79.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 1.3 tt0 -62.34 -36.27 81.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -61.51 -40.39 94.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 567' ' ' LYS . 11.2 mt -60.11 -41.13 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 572' ' ' LYS . 1.4 mp0 -63.9 -43.23 96.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 571' ' ' GLN . 5.2 pttt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.422 ' SD ' ' HB2' ' A' ' 534' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.505 0.193 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.535 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 33.1 p -43.79 169.01 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.535 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.09 -13.15 21.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.607 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -71.17 -39.21 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.607 ' N ' HE21 ' A' ' 533' ' ' GLN . 15.6 t70 -69.32 -39.11 78.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -27.13 66.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.641 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -84.26 6.86 21.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.739 ' O ' HD12 ' A' ' 541' ' ' ILE . 39.5 mmtt -65.61 -23.42 66.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.794 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -69.18 -33.61 73.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.442 ' HA ' ' SD ' ' A' ' 542' ' ' MET . . . -59.66 -37.62 79.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.968 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.3 OUTLIER -69.09 -35.54 76.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.782 HG22 HD12 ' A' ' 545' ' ' LEU . 3.5 mt -86.49 -19.81 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.875 ' SD ' ' HB2' ' A' ' 549' ' ' ALA . 0.0 OUTLIER -59.95 -33.64 72.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.483 ' N ' ' HG2' ' A' ' 542' ' ' MET . 2.7 mt-30 -63.71 -48.04 78.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.0 t -69.76 -33.93 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.782 HD12 HG22 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -54.75 -90.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.599 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.75 -26.48 12.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.359 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.599 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.4 OUTLIER 95.76 13.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.12 127.05 15.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.875 ' HB2' ' SD ' ' A' ' 542' ' ' MET . . . -79.87 1.75 25.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -66.47 -48.52 69.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 546' ' ' GLN . 1.6 mp0 -69.81 -40.69 75.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.1 mm -71.82 -29.86 35.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -61.96 -28.47 69.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.72 -6.12 56.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.28 150.22 42.68 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.4 Cg_endo -74.96 172.28 16.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -35.36 3.16 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -72.54 -3.0 21.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.7 OUTLIER -117.08 -36.87 3.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.794 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 1.2 mtm180 -45.01 -57.21 3.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.532 HE22 HD11 ' A' ' 565' ' ' ILE . 0.0 OUTLIER -60.95 -27.75 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 2.4 t -44.69 -34.91 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.622 HD12 HD11 ' A' ' 545' ' ' LEU . 1.4 mm -62.04 -41.52 91.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.707 HD12 ' CB ' ' A' ' 537' ' ' LYS . 3.7 tt -61.45 -39.32 90.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.532 HD11 HE22 ' A' ' 561' ' ' GLN . 69.6 mt -64.56 -49.01 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -35.01 76.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.666 ' HG2' HG21 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -62.04 -36.49 81.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.49 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.78 -33.86 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . 0.49 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 51.3 mt-30 -60.58 -39.35 87.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.533 HD12 ' CE ' ' A' ' 567' ' ' LYS . 58.1 mt -61.65 -41.25 89.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.99 -42.42 94.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.481 0.181 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.414 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.2 OUTLIER -44.88 169.96 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -21.05 16.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.526 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.82 -40.48 75.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.526 ' N ' HE21 ' A' ' 533' ' ' GLN . 0.5 OUTLIER -66.17 -37.96 86.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.557 ' CD2' ' HA ' ' A' ' 558' ' ' GLU . 3.8 m-70 -67.66 -25.52 65.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -81.18 5.94 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.647 ' HB3' HD12 ' A' ' 564' ' ' LEU . 29.2 mttt -64.93 -23.42 67.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -64.51 -28.89 69.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -52.13 -33.29 39.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.979 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.7 OUTLIER -67.45 -30.35 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.771 HG21 ' HG3' ' A' ' 567' ' ' LYS . 2.0 mt -108.43 11.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.538 ' HB2' ' O ' ' A' ' 539' ' ' ALA . 0.0 OUTLIER -66.92 -43.08 84.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.79 91.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.15 -42.64 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 563' ' ' ILE . 0.6 OUTLIER -95.39 22.92 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 548' ' ' THR . 0.0 OUTLIER -93.6 -5.28 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 546' ' ' GLN . 0.7 OUTLIER -36.21 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.783 HG22 ' H ' ' A' ' 550' ' ' ASP . 1.1 m -133.4 -51.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 86.44 -28.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.783 ' H ' HG22 ' A' ' 548' ' ' THR . 1.2 t70 -60.42 -38.88 85.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.53 ' O ' ' CD2' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -67.01 -46.25 75.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.538 HG22 ' HD2' ' A' ' 560' ' ' ARG . 27.7 mm -69.85 -42.82 80.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.66 -21.45 62.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.413 ' CB ' ' O ' ' A' ' 550' ' ' ASP . 4.5 ttm -71.55 -23.13 61.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -99.3 159.3 30.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.1 Cg_endo -75.04 174.79 12.19 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.417 ' HA ' ' HG3' ' A' ' 560' ' ' ARG . 18.2 Cg_endo -75.01 -37.15 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . 0.557 ' HA ' ' CD2' ' A' ' 535' ' ' HIS . 3.3 tt0 -72.15 -2.15 17.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.459 ' HB2' ' HD2' ' A' ' 556' ' ' PRO . 1.1 mt-30 -117.55 -35.12 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.538 ' HD2' HG22 ' A' ' 552' ' ' ILE . 1.7 mtm180 -37.88 -50.55 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.1 OUTLIER -39.71 -26.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 560' ' ' ARG . 2.9 m -45.35 -35.22 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.555 HD12 ' HG ' ' A' ' 545' ' ' LEU . 12.8 mm -61.26 -36.62 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 537' ' ' LYS . 2.8 tt -67.74 -39.47 84.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 16.3 mm -64.07 -46.89 92.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -34.74 78.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.771 ' HG3' HG21 ' A' ' 541' ' ' ILE . 0.2 OUTLIER -61.46 -41.15 96.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.81 -44.93 94.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -63.83 -39.14 93.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 57.3 mt -59.98 -40.62 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -41.83 97.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.977 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.538 0.208 . . . . 0.0 111.0 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.43 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.3 OUTLIER -44.44 169.17 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.398 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -75.0 -16.96 19.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.449 1.763 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.483 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.03 -39.99 75.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.483 ' N ' HE21 ' A' ' 533' ' ' GLN . 19.3 t70 -66.09 -39.61 90.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.0 -25.75 66.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -84.62 8.14 17.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -21.6 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -65.63 -33.07 75.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.478 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.17 -35.18 66.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.996 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.4 OUTLIER -61.65 -32.85 73.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.794 HD13 ' CE ' ' A' ' 567' ' ' LYS . 1.4 mp -96.91 -13.67 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.478 ' HB3' ' O ' ' A' ' 539' ' ' ALA . 3.0 tmm? -58.2 -40.68 82.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.437 ' HA ' ' CB ' ' A' ' 547' ' ' LEU . 0.2 OUTLIER -69.81 -37.71 76.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.35 -33.96 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.57 HD23 HG23 ' A' ' 541' ' ' ILE . 2.6 mm? -71.94 -100.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.444 ' HG3' ' NE2' ' A' ' 551' ' ' GLN . 2.8 pm0 -105.96 -29.57 9.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 543' ' ' GLN . 0.5 OUTLIER 72.7 96.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.729 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 52.7 m -159.05 -42.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.379 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.24 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -59.96 -38.07 81.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 554' ' ' MET . 1.2 mt-30 -63.49 -40.89 98.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.13 -27.97 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.41 90.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.461 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 10.4 ptm -76.77 -11.06 59.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.428 HD23 ' HG3' ' A' ' 554' ' ' MET . 0.4 OUTLIER -84.14 143.21 42.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.4 Cg_endo -75.02 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.43 3.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.66 -1.52 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.8 mt-30 -120.82 -38.02 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 2.0 ttp180 -47.08 -56.18 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -62.87 -23.93 67.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.1 t -46.53 -34.41 4.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.849 HG22 ' CD ' ' A' ' 567' ' ' LYS . 49.0 mm -63.08 -36.0 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 561' ' ' GLN . 3.4 tt -61.78 -39.35 91.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 562' ' ' SER . 19.9 mt -68.66 -49.33 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -28.6 66.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.849 ' CD ' HG22 ' A' ' 563' ' ' ILE . 0.9 OUTLIER -55.58 -41.53 73.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -62.58 -38.13 88.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -66.37 -39.04 88.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 72.0 mt -65.12 -41.65 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -43.31 89.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 7.6 mttp . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.96 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.515 0.197 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.587 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.6 OUTLIER -92.28 -172.56 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.659 ' HA ' ' CD2' ' A' ' 535' ' ' HIS . 18.3 Cg_endo -75.04 -18.32 18.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.563 1.823 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.609 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.23 -39.14 75.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.609 ' N ' HE21 ' A' ' 533' ' ' GLN . 5.5 t70 -60.93 -47.18 87.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.659 ' CD2' ' HA ' ' A' ' 532' ' ' PRO . 0.0 OUTLIER -77.04 -38.25 53.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.579 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 30.2 tt0 -80.71 2.72 24.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.514 ' O ' HD12 ' A' ' 541' ' ' ILE . 0.6 OUTLIER -67.26 -22.29 65.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.675 ' HB3' ' HG3' ' A' ' 560' ' ' ARG . . . -67.36 -32.09 72.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.428 ' HA ' ' SD ' ' A' ' 542' ' ' MET . . . -56.69 -39.73 74.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.895 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.6 OUTLIER -69.12 -33.57 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.752 HG21 ' CG ' ' A' ' 567' ' ' LYS . 4.6 mt -86.17 -20.73 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.621 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -56.99 -32.14 65.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.5 ' N ' ' HG2' ' A' ' 542' ' ' MET . 2.4 mt-30 -63.45 -47.29 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.252 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.8 -32.28 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 1.045 HD23 ' OE1' ' A' ' 546' ' ' GLN . 8.3 tp -57.96 -91.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 1.045 ' OE1' HD23 ' A' ' 545' ' ' LEU . 3.0 pm0 -105.56 -19.9 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.646 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 7.9 tp 100.33 -62.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.446 ' O ' ' NE2' ' A' ' 546' ' ' GLN . 2.1 p -58.57 106.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.506 ' HB2' ' CE ' ' A' ' 542' ' ' MET . . . -60.69 -28.05 68.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -37.98 80.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.496 ' O ' ' CG ' ' A' ' 554' ' ' MET . 8.6 mt-30 -61.74 -45.28 94.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.956 ' HA ' HD12 ' A' ' 555' ' ' LEU . 0.1 OUTLIER -75.09 -34.04 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.82 -22.84 64.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 0.0 OUTLIER -81.95 -6.46 59.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.956 HD12 ' HA ' ' A' ' 552' ' ' ILE . 6.7 mt -92.61 157.96 39.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.84 32.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.67 2.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.74 -11.94 30.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.9 mt-30 -104.47 -38.31 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.675 ' HG3' ' HB3' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -48.31 -65.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.67 -23.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.7 OUTLIER -63.21 -38.19 90.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.96 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.415 HD12 HH12 ' A' ' 560' ' ' ARG . 0.8 OUTLIER -61.69 -37.37 77.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.684 HD23 ' C ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.84 -38.9 92.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 82.4 mt -65.75 -47.28 86.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -33.43 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.752 ' CG ' HG21 ' A' ' 541' ' ' ILE . 1.6 mmtt -61.44 -48.79 79.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 8.3 pt-20 -65.52 -35.04 79.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.8 OUTLIER -62.3 -37.27 84.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 567' ' ' LYS . 64.4 mt -58.35 -35.47 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -60.41 -43.04 97.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 17.2 mttt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.52 0.2 . . . . 0.0 110.998 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.511 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 44.1 p -43.75 167.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -74.99 -14.08 21.26 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.466 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.2 OUTLIER -71.21 -40.35 71.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.402 ' OD1' ' OE1' ' A' ' 561' ' ' GLN . 10.7 t70 -66.67 -37.95 85.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -67.38 -25.93 66.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.84 5.53 21.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -65.54 -23.51 66.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.73 ' HB1' ' HB ' ' A' ' 563' ' ' ILE . . . -69.63 -33.03 72.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -56.8 -36.81 70.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 1.023 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.3 OUTLIER -58.03 -34.4 70.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.714 HG21 ' HG3' ' A' ' 567' ' ' LYS . 3.7 mt -93.88 -26.56 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.526 ' HE2' HG12 ' A' ' 552' ' ' ILE . 1.3 tpt -57.42 -31.57 66.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.487 ' NE2' ' HA ' ' A' ' 540' ' ' LEU . 6.3 mt-30 -60.09 -37.73 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.42 -32.37 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.9 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 3.3 pm0 -105.79 -34.92 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.934 ' O ' HG23 ' A' ' 548' ' ' THR . 0.0 OUTLIER 86.63 92.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.934 HG23 ' O ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -178.43 107.56 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.16 -23.44 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.57 -38.76 85.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.468 ' HG3' ' CB ' ' A' ' 548' ' ' THR . 1.1 mt-30 -65.44 -39.87 92.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.526 HG12 ' HE2' ' A' ' 542' ' ' MET . 1.7 mm -74.73 -25.79 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.69 72.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.35 -7.45 59.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.497 HD12 HD13 ' A' ' 552' ' ' ILE . 12.1 mt -75.99 143.95 75.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.2 Cg_endo -75.03 174.44 12.78 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.578 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.01 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . 0.578 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 0.1 OUTLIER 92.19 -14.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.466 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.6 OUTLIER -91.49 -30.57 16.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 538' ' ' ALA . 10.8 mtm105 -60.44 -64.9 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.402 ' OE1' ' OD1' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -58.58 -14.88 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.3 t -47.93 -36.78 12.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.73 ' HB ' ' HB1' ' A' ' 538' ' ' ALA . 1.5 mt -61.42 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.1 -33.52 73.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 12.4 mm -71.27 -46.77 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -34.76 78.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.714 ' HG3' HG21 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -61.42 -36.22 79.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.1 OUTLIER -61.1 -35.38 76.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.9 OUTLIER -66.57 -38.66 87.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.45 -34.7 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -64.41 -40.56 96.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.5 mttt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 179.992 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.563 ' HB3' ' CE1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.506 0.193 . . . . 0.0 110.971 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.44 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 72.8 p -41.95 164.32 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.44 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.05 -16.61 20.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.617 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.74 -39.51 73.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.617 ' N ' HE21 ' A' ' 533' ' ' GLN . 24.7 t70 -63.75 -46.17 86.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.604 ' CE1' ' CG ' ' A' ' 558' ' ' GLU . 6.5 m-70 -71.31 -25.81 62.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.548 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -81.76 2.93 27.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.484 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 4.0 mtpt -63.48 -22.87 67.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -66.58 -30.47 70.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -54.39 -32.91 58.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.5 tp -67.4 -31.26 71.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.902 HD13 ' HA ' ' A' ' 564' ' ' LEU . 3.0 mt -105.79 5.39 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 538' ' ' ALA . 13.0 mtp -66.51 -32.44 73.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 1.5 mp0 -61.52 -40.26 94.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.07 -42.92 76.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.992 HD22 HD11 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -95.28 21.63 7.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -87.33 -10.13 53.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 547' ' ' LEU . 1.8 tm? -39.92 -29.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.733 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 25.0 m -129.31 -53.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.363 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.49 -33.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 554' ' ' MET . 2.8 t0 -59.57 -38.03 80.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.759 ' OE1' HD23 ' A' ' 545' ' ' LEU . 1.8 pt20 -61.74 -45.25 94.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.992 HD11 HD22 ' A' ' 545' ' ' LEU . 21.1 mm -74.94 -41.27 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -63.98 -22.63 67.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.465 ' CG ' ' O ' ' A' ' 550' ' ' ASP . 1.7 mmt -87.71 -5.15 58.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 552' ' ' ILE . 45.2 mt -83.67 140.55 41.08 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -75.02 175.26 11.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.424 1.749 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.0 127.52 10.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.79 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . 0.604 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 0.7 OUTLIER 93.66 -15.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.32 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.3 OUTLIER -91.96 -30.46 16.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -50.1 -58.47 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 564' ' ' LEU . 24.9 tt0 -39.4 -35.23 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.527 ' HA ' HD12 ' A' ' 565' ' ' ILE . 6.0 t -43.83 -34.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.499 HG13 HD13 ' A' ' 545' ' ' LEU . 1.7 tp -62.15 -41.63 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.902 ' HA ' HD13 ' A' ' 541' ' ' ILE . 0.7 OUTLIER -58.46 -39.37 79.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 562' ' ' SER . 14.2 mt -66.72 -45.57 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.16 -44.35 84.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.939 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.0 OUTLIER -68.96 -36.69 78.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.41 -40.67 97.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.22 -39.11 91.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.939 HD12 ' HA ' ' A' ' 567' ' ' LYS . 14.9 mt -59.87 -38.26 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -62.02 -37.35 84.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.0 mttt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.949 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.474 ' CG ' ' HB3' ' A' ' 534' ' ' ASP . 12.8 ttp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.49 0.186 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.475 ' CB ' ' NE2' ' A' ' 533' ' ' GLN . 28.7 p -48.4 166.33 0.22 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -74.99 -15.65 20.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.475 ' NE2' ' CB ' ' A' ' 531' ' ' THR . 0.5 OUTLIER -70.15 -40.05 74.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.474 ' HB3' ' CG ' ' A' ' 530' ' ' MET . 54.7 t0 -60.38 -36.96 79.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 535' ' ' HIS . 2.0 m170 -67.1 -27.49 67.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -77.69 1.07 21.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.711 ' HB3' HD12 ' A' ' 564' ' ' LEU . 33.9 mmtt -65.7 -22.79 66.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.549 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -69.82 -32.92 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -56.14 -35.01 66.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.959 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -66.71 -31.35 71.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.794 HG21 ' CG ' ' A' ' 567' ' ' LYS . 2.8 mt -96.33 -12.84 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.549 ' N ' ' O ' ' A' ' 538' ' ' ALA . 30.6 mmm -57.88 -35.36 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.504 ' HA ' ' CB ' ' A' ' 547' ' ' LEU . 0.1 OUTLIER -63.35 -39.09 93.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 36.3 t -63.17 -32.17 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -78.52 -96.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.604 ' NE2' ' N ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -106.41 -34.68 7.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 547' ' ' LEU . 0.2 OUTLIER 80.85 94.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 6.5 m -163.97 -53.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 85.44 -40.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' A' ' 553' ' ' ALA . 4.4 t0 -59.25 -36.67 75.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.457 ' NE2' ' HG2' ' A' ' 546' ' ' GLN . 4.8 mt-30 -61.31 -37.32 82.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.658 HD13 HD12 ' A' ' 555' ' ' LEU . 1.1 mm -63.34 -27.73 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 550' ' ' ASP . . . -59.15 -22.52 61.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.1 mmt -91.07 2.1 56.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.658 HD12 HD13 ' A' ' 552' ' ' ILE . 16.0 mt -112.39 149.82 41.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -43.0 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.806 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -62.59 -12.78 25.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.4 mt-30 -109.32 -33.19 6.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.541 ' CG ' HG23 ' A' ' 552' ' ' ILE . 1.9 ttp180 -55.53 -70.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.872 ' OE1' HD22 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -53.34 -19.52 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.1 t -50.8 -35.73 33.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.565 HG22 HD13 ' A' ' 541' ' ' ILE . 8.1 mt -61.86 -37.6 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.872 HD22 ' OE1' ' A' ' 561' ' ' GLN . 6.2 tt -68.12 -40.52 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 37.6 mt -62.65 -48.79 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.86 -34.84 77.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.794 ' CG ' HG21 ' A' ' 541' ' ' ILE . 4.9 mmtt -62.38 -37.67 86.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.95 -38.89 92.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -67.07 -39.34 86.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 567' ' ' LYS . 58.9 mt -60.33 -39.61 81.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.76 -43.17 89.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.1 mttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.986 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.476 0.179 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.405 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.0 OUTLIER -46.26 172.64 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.03 -13.26 21.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.412 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 1.0 OUTLIER -69.65 -40.23 76.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.98 -37.59 86.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -72.73 -28.26 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -83.0 5.0 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.651 ' HB3' HD12 ' A' ' 564' ' ' LEU . 5.4 mmtp -63.99 -23.33 67.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.865 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -65.95 -34.43 78.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.486 ' O ' ' OE1' ' A' ' 543' ' ' GLN . . . -63.15 -33.24 75.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.987 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -64.48 -30.15 71.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.543 ' CG2' ' O ' ' A' ' 541' ' ' ILE . 0.4 OUTLIER -108.98 3.53 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.654 ' CE ' ' HB2' ' A' ' 549' ' ' ALA . 6.0 tmm? -66.53 -31.26 71.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.3 OUTLIER -60.62 -47.7 85.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.945 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.41 -34.05 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.944 ' CD2' HD11 ' A' ' 563' ' ' ILE . 0.2 OUTLIER -54.37 -88.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.799 ' HG3' HD12 ' A' ' 545' ' ' LEU . 0.0 OUTLIER -107.56 -26.34 10.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 547' ' ' LEU . 1.5 tt 96.67 22.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 542' ' ' MET . 7.4 m -152.43 144.83 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.435 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.654 ' HB2' ' CE ' ' A' ' 542' ' ' MET . . . -88.98 -24.1 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.33 -39.03 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -68.72 -39.46 80.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.755 HD13 HD12 ' A' ' 555' ' ' LEU . 1.9 mm -70.67 -27.73 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.59 -22.86 64.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.47 -8.81 59.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.755 HD12 HD13 ' A' ' 552' ' ' ILE . 45.7 mt -100.08 146.68 32.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.1 Cg_endo -74.98 173.53 14.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.24 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -66.15 -8.87 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.7 OUTLIER -112.8 -38.66 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.865 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -45.04 -59.42 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.593 ' OE1' HD22 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -57.27 -35.56 69.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -45.09 -34.0 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.947 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.944 HD11 ' CD2' ' A' ' 545' ' ' LEU . 1.8 tt -63.82 -44.1 98.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.651 HD12 ' HB3' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -57.21 -34.42 68.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.14 -46.58 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.48 -44.89 81.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' A' ' 570' ' ' ILE . 2.5 mptt -67.07 -35.03 78.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 1.5 mm-40 -61.15 -36.45 79.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -61.49 -40.82 95.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 567' ' ' LYS . 43.6 mt -60.05 -41.49 86.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.77 -32.02 73.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 28.3 mttt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.977 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.466 0.174 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.432 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.0 OUTLIER -46.46 171.79 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.404 179.951 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.432 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.5 Cg_endo -74.94 -13.16 21.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.416 ' CD ' ' C ' ' A' ' 533' ' ' GLN . 0.6 OUTLIER -69.79 -46.73 65.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.54 -39.01 86.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -67.47 -27.03 66.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.588 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -83.11 6.31 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -64.56 -23.4 67.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.67 -32.33 72.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.454 ' HA ' ' SD ' ' A' ' 542' ' ' MET . . . -56.74 -37.68 71.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.876 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.6 OUTLIER -70.57 -33.13 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.546 HD13 ' HA ' ' A' ' 564' ' ' LEU . 6.3 mt -90.46 -9.73 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.593 ' N ' ' O ' ' A' ' 538' ' ' ALA . 1.9 ptt? -66.76 -34.37 77.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.512 ' N ' ' HG2' ' A' ' 542' ' ' MET . 1.2 mt-30 -64.17 -39.5 94.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.9 t -63.36 -32.57 57.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.741 ' HG ' HD11 ' A' ' 563' ' ' ILE . 0.2 OUTLIER -73.76 -97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.444 ' H ' ' NE2' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -106.08 -36.19 7.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 547' ' ' LEU . 0.2 OUTLIER 76.96 98.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . 0.715 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 47.5 p -157.47 -46.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 86.02 -44.2 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 553' ' ' ALA . 5.6 t0 -63.72 -39.21 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -64.29 -38.79 92.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.723 HG22 ' HD2' ' A' ' 560' ' ' ARG . 12.4 mm -63.85 -26.76 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 550' ' ' ASP . . . -68.16 -22.54 64.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 2.8 mmt -83.74 -8.53 59.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 12.0 mt -74.79 143.15 77.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -75.02 175.01 11.81 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.811 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.504 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.5 Cg_endo -74.96 130.06 12.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 2.0 mt-10 87.02 -13.15 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 110.356 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.1 OUTLIER -91.6 -30.05 16.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.723 ' HD2' HG22 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -56.26 -60.43 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -18.6 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 2.7 t -48.7 -35.85 14.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.741 HD11 ' HG ' ' A' ' 545' ' ' LEU . 0.1 OUTLIER -62.18 -42.38 94.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.546 ' HA ' HD13 ' A' ' 541' ' ' ILE . 2.1 tt -59.71 -34.59 73.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 15.0 mm -70.13 -46.08 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -35.46 80.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.765 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.0 OUTLIER -68.67 -45.85 70.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.52 -35.36 77.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 10.5 mt-30 -63.21 -38.61 91.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 567' ' ' LYS . 30.4 mt -59.37 -41.89 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . 0.406 ' OE1' ' CA ' ' A' ' 571' ' ' GLN . 0.9 OUTLIER -64.86 -38.51 91.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.978 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.415 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.538 0.208 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.469 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 70.6 p -41.96 164.88 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.03 -20.18 17.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.609 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.41 -39.38 74.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.609 ' N ' HE21 ' A' ' 533' ' ' GLN . 4.2 t70 -66.91 -37.19 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.56 -25.97 61.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.629 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.57 7.2 46.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.891 ' HB3' HD12 ' A' ' 564' ' ' LEU . 0.5 OUTLIER -70.03 -22.53 63.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.02 -31.12 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.616 ' HB2' HH22 ' A' ' 560' ' ' ARG . . . -53.9 -37.05 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.486 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 3.0 tp -70.11 -32.78 70.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.722 HG21 ' CG ' ' A' ' 567' ' ' LYS . 7.2 mm -90.14 -10.24 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.586 ' SD ' HG21 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -60.72 -41.52 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.536 ' O ' ' HA ' ' A' ' 547' ' ' LEU . 0.2 OUTLIER -67.13 -47.44 71.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 22.2 t -69.63 -34.77 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 546' ' ' GLN . 3.1 tm? -45.97 -84.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.717 ' N ' HD13 ' A' ' 545' ' ' LEU . 0.8 OUTLIER -104.49 -38.87 6.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.67 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 5.1 tp 149.2 -20.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 19.7 p -147.17 157.0 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 542' ' ' MET . . . -86.13 -5.43 59.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.494 ' O ' ' HB3' ' A' ' 553' ' ' ALA . 2.6 t0 -62.58 -42.95 99.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -65.58 -44.54 86.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.602 HD11 ' HG ' ' A' ' 545' ' ' LEU . 1.3 mm -74.45 -22.42 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 550' ' ' ASP . . . -54.27 -21.46 9.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -15.28 60.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.55 152.26 43.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.491 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.1 Cg_endo -75.08 171.76 17.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.03 3.38 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -73.33 -1.88 19.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.8 mt-30 -119.36 -36.33 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.616 HH22 ' HB2' ' A' ' 539' ' ' ALA . 3.0 mtm180 -40.98 -55.01 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.51 ' NE2' HD11 ' A' ' 565' ' ' ILE . 0.0 OUTLIER -46.45 -30.12 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.248 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 76.9 p -42.08 -42.06 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.082 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 13.4 mm -59.16 -42.64 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.891 HD12 ' HB3' ' A' ' 537' ' ' LYS . 0.9 OUTLIER -61.6 -39.2 90.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.51 HD11 ' NE2' ' A' ' 561' ' ' GLN . 72.4 mt -65.63 -47.42 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -34.54 78.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.795 ' HE2' HD12 ' A' ' 570' ' ' ILE . 2.4 mmtt -61.21 -36.9 81.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.38 -36.29 81.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -67.3 -39.01 85.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . 0.795 HD12 ' HE2' ' A' ' 567' ' ' LYS . 66.0 mt -59.76 -41.72 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.98 -39.99 94.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 35.2 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.962 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 530' ' ' MET . . . . . 0.418 ' HB3' ' CE1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.491 0.186 . . . . 0.0 111.048 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 531' ' ' THR . . . . . 0.464 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 73.2 p -41.83 164.59 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.406 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -18.77 18.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 533' ' ' GLN . . . . . 0.616 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.56 -39.26 74.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 534' ' ' ASP . . . . . 0.616 ' N ' HE21 ' A' ' 533' ' ' GLN . 4.2 t70 -67.91 -39.23 83.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.418 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 13.3 m-70 -67.36 -26.73 66.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.63 9.65 15.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 537' ' ' LYS . . . . . 0.48 ' HB2' HD12 ' A' ' 564' ' ' LEU . 2.6 mmtp -68.99 -25.05 64.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.838 ' HB1' ' HB ' ' A' ' 563' ' ' ILE . . . -70.92 -31.27 67.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 539' ' ' ALA . . . . . 0.594 ' O ' ' HE2' ' A' ' 542' ' ' MET . . . -55.55 -36.13 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 540' ' ' LEU . . . . . 0.442 HD23 HD12 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -67.59 -36.04 80.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.61 HD13 ' HG3' ' A' ' 567' ' ' LYS . 1.9 mt -85.85 -25.2 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 542' ' ' MET . . . . . 0.595 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -56.66 -32.02 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 547' ' ' LEU . 3.6 mt-30 -60.91 -41.04 95.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.82 -29.5 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.793 HD22 ' OE1' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -68.75 -78.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 546' ' ' GLN . . . . . 0.793 ' OE1' HD22 ' A' ' 545' ' ' LEU . 3.1 mp0 -101.72 -37.14 8.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.6 OUTLIER 96.59 16.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 3.0 m -143.59 140.06 29.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.438 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 549' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 553' ' ' ALA . . . -88.81 0.82 56.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -64.98 -48.45 73.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . 0.421 ' NE2' ' CB ' ' A' ' 546' ' ' GLN . 1.1 mp0 -70.01 -39.17 76.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 542' ' ' MET . 0.9 OUTLIER -70.42 -30.21 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -60.1 -22.77 63.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -4.2 53.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 9.7 mt -92.49 146.9 33.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -74.97 173.07 15.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.39 2.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.779 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -71.73 -3.7 23.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.7 mt-30 -116.64 -37.74 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 560' ' ' ARG . . . . . 0.524 ' O ' ' CB ' ' A' ' 538' ' ' ALA . 2.7 ttp180 -51.79 -62.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 561' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -56.34 -26.37 52.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.23 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 562' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.7 t -44.31 -35.47 2.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 563' ' ' ILE . . . . . 0.838 ' HB ' ' HB1' ' A' ' 538' ' ' ALA . 0.5 OUTLIER -61.59 -41.18 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 561' ' ' GLN . 2.0 tt -60.48 -35.42 75.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 15.4 mm -69.01 -46.16 79.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.48 -31.81 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.61 ' HG3' HD13 ' A' ' 541' ' ' ILE . 2.5 mmtt -59.91 -49.0 79.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 6.6 pt-20 -66.48 -34.55 78.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.243 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 569' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -64.98 -37.09 86.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 70.8 mt -57.96 -41.68 80.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 571' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 567' ' ' LYS . 1.3 mp0 -60.56 -40.75 92.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -37.68 111.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 111.014 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 71.6 p -41.7 164.52 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.355 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.06 -18.42 18.61 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.565 1.823 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.603 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.56 -39.2 74.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.603 ' N ' HE21 ' A' ' 533' ' ' GLN . 10.5 t70 -66.45 -39.32 88.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 557' ' ' PRO . 16.7 m-70 -67.29 -25.74 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -82.2 5.22 20.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.65 ' HB3' HD12 ' A' ' 564' ' ' LEU . 5.1 mmpt? -69.62 -22.35 63.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -69.87 -32.53 70.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.21 -36.73 68.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.4 tp -64.1 -32.71 74.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 1.029 HG22 ' CD1' ' A' ' 545' ' ' LEU . 2.9 mt -99.25 -6.54 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.577 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -65.57 -38.42 89.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.2 OUTLIER -65.43 -46.92 78.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.6 t -70.5 -34.09 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 1.029 ' CD1' HG22 ' A' ' 541' ' ' ILE . 2.6 mp -53.56 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.688 ' O ' HD23 ' A' ' 547' ' ' LEU . 2.2 pm0 -105.51 -27.38 11.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.802 ' O ' HG23 ' A' ' 548' ' ' THR . 0.2 OUTLIER 91.87 37.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.802 HG23 ' O ' ' A' ' 547' ' ' LEU . 1.1 p -162.89 116.63 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.537 ' HB2' ' SD ' ' A' ' 542' ' ' MET . . . -69.82 -22.64 63.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -39.52 91.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -69.11 -42.13 76.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.579 HD11 HD22 ' A' ' 545' ' ' LEU . 0.9 OUTLIER -74.35 -27.54 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -60.76 -29.29 69.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -8.0 55.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 24.2 mt -91.29 150.07 40.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.511 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.3 Cg_endo -75.01 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.534 1.808 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 535' ' ' HIS . 18.3 Cg_endo -75.02 -35.39 3.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -73.05 -2.09 19.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -118.36 -36.13 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.648 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.9 OUTLIER -45.63 -60.03 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -58.29 -27.77 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.6 t -46.93 -34.1 5.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.694 HD12 HD21 ' A' ' 545' ' ' LEU . 40.9 mm -62.14 -36.48 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 537' ' ' LYS . 3.1 tt -67.47 -39.93 85.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.76 -47.55 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -34.99 78.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.748 ' HG3' HG21 ' A' ' 541' ' ' ILE . 1.6 mmtt -61.93 -36.71 82.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.11 -36.62 82.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -62.33 -40.74 97.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.649 HD12 ' HE2' ' A' ' 567' ' ' LYS . 83.2 mt -60.01 -35.28 60.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -64.1 -34.01 77.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 8.6 mttt 59.8 99.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 7.7 t -165.35 -57.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 16.9 m 54.29 104.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 173.69 62.83 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -114.61 154.6 46.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.317 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 0.0 110.971 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.68 118.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.6 OUTLIER -43.67 167.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -74.99 -19.71 17.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.586 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.88 -40.07 75.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.586 ' N ' HE21 ' A' ' 533' ' ' GLN . 7.2 t70 -66.38 -40.15 89.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -77.22 -34.18 56.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.547 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.57 8.87 31.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.64 ' CB ' HD12 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -69.53 -23.21 63.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -66.75 -32.98 74.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.22 -36.42 70.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.531 HD23 ' CD1' ' A' ' 541' ' ' ILE . 0.0 OUTLIER -68.54 -32.27 72.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.675 ' O ' HD23 ' A' ' 545' ' ' LEU . 2.9 mp -101.5 9.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.586 ' CE ' ' HB2' ' A' ' 549' ' ' ALA . 2.4 tmm? -66.71 -43.59 83.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -62.84 -38.85 92.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 544' ' ' VAL . 3.1 t -67.92 -33.53 61.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 541' ' ' ILE . 1.9 mm? -55.55 -93.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.74 -18.75 14.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.562 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 93.24 31.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.423 ' OG1' ' C ' ' A' ' 547' ' ' LEU . 2.1 m -154.7 138.76 16.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.586 ' HB2' ' CE ' ' A' ' 542' ' ' MET . . . -84.73 -28.66 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.36 -39.32 90.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -64.61 -40.74 96.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.66 ' HA ' HD12 ' A' ' 555' ' ' LEU . 0.7 OUTLIER -72.29 -32.8 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.33 -22.83 65.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 77.4 mtp -80.24 -10.29 59.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 552' ' ' ILE . 2.4 mt -99.3 151.17 37.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 174.15 13.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -40.41 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.31 -9.07 29.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.8 OUTLIER -109.7 -34.69 6.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -52.84 -59.46 4.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.263 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -51.89 -28.64 16.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.3 t -45.2 -35.57 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.628 HG12 HD21 ' A' ' 545' ' ' LEU . 8.5 mt -62.22 -40.46 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.64 HD12 ' CB ' ' A' ' 537' ' ' LYS . 2.3 tt -62.02 -38.69 89.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.453 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 18.8 mm -65.57 -47.47 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -33.95 74.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.586 ' HG3' HD13 ' A' ' 541' ' ' ILE . 5.8 mmtt -61.11 -48.01 83.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 10.6 pt-20 -67.93 -35.75 78.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . 0.426 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.5 OUTLIER -62.91 -38.23 90.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 567' ' ' LYS . 24.8 mt -59.09 -38.08 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -60.47 -42.57 96.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.96 67.85 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 4.4 t -148.31 85.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 23.5 m 46.99 81.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.366 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -81.58 163.89 44.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -130.15 85.08 58.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.506 1.792 . . . . 0.0 111.026 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 529' ' ' HIS . 22.0 p-80 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.408 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -37.74 122.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.42 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.3 OUTLIER -44.35 169.16 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -75.02 -19.59 17.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.446 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.67 -39.48 76.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.446 ' N ' HE21 ' A' ' 533' ' ' GLN . 10.5 t70 -65.44 -35.98 82.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -77.26 -29.69 54.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 536' ' ' GLU . 0.4 OUTLIER -83.59 5.0 25.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.728 ' CB ' HD12 ' A' ' 564' ' ' LEU . 1.1 mmpt? -64.23 -23.08 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -68.15 -33.64 74.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.98 -38.24 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 540' ' ' LEU . 2.2 tp -68.22 -33.43 74.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.661 HG23 ' HE3' ' A' ' 567' ' ' LYS . 3.1 mt -92.92 -2.67 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.598 ' SD ' ' HB2' ' A' ' 549' ' ' ALA . 2.9 ttp -66.08 -37.18 85.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.708 ' CB ' HD12 ' A' ' 547' ' ' LEU . 0.2 OUTLIER -63.91 -40.42 96.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.12 -31.98 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 541' ' ' ILE . 0.7 OUTLIER -71.28 -100.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.76 ' NE2' HE22 ' A' ' 551' ' ' GLN . 0.0 OUTLIER -106.07 -25.21 12.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.708 HD12 ' CB ' ' A' ' 543' ' ' GLN . 0.5 OUTLIER 67.92 61.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.874 HG22 ' H ' ' A' ' 550' ' ' ASP . 1.5 m -136.92 -48.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 86.44 -20.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.874 ' H ' HG22 ' A' ' 548' ' ' THR . 20.3 t0 -65.76 -46.29 79.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.76 HE22 ' NE2' ' A' ' 546' ' ' GLN . 0.0 OUTLIER -68.7 -39.31 80.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.743 ' HA ' HD12 ' A' ' 555' ' ' LEU . 1.1 mm -74.81 -28.16 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -64.24 -38.52 91.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 10.6 ptp -81.06 -3.17 50.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 552' ' ' ILE . 36.9 mt -86.97 148.01 44.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.56 14.31 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -40.43 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.62 -8.26 26.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.5 OUTLIER -110.35 -38.69 5.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -50.38 -62.96 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -56.56 -26.9 56.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -46.27 -35.95 5.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.554 ' CD1' HD11 ' A' ' 552' ' ' ILE . 3.1 mt -62.2 -39.36 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.728 HD12 ' CB ' ' A' ' 537' ' ' LYS . 2.9 tt -64.33 -39.46 93.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 15.9 mm -65.49 -47.94 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -33.97 75.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.661 ' HE3' HG23 ' A' ' 541' ' ' ILE . 8.6 mmtt -60.8 -37.29 81.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -62.15 -36.57 82.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.294 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -62.96 -39.07 93.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 567' ' ' LYS . 62.8 mt -61.77 -40.53 87.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.85 -41.53 95.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -88.18 69.99 9.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 1.4 t -128.74 111.44 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.012 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 18.3 m -56.68 -56.89 15.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -65.34 -150.84 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -106.81 114.36 61.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 530' ' ' MET . 3.3 t-160 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 529' ' ' HIS . 0.0 OUTLIER -37.18 111.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.505 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 44.4 p -43.49 167.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.505 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.05 -13.36 21.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 110.959 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.464 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.3 OUTLIER -70.87 -40.09 72.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.29 -37.18 86.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -68.56 -25.89 65.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -83.92 6.15 22.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 18.0 mtpt -64.06 -24.51 67.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.843 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -70.3 -33.36 71.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -57.32 -35.83 70.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.94 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -64.21 -32.67 74.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.763 HD13 ' HA ' ' A' ' 564' ' ' LEU . 2.3 mt -98.08 -6.85 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 538' ' ' ALA . 2.6 tmm? -65.64 -43.01 90.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -67.95 -37.38 81.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.8 -33.59 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 567' ' ' LYS . 41.1 tp -73.12 -101.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.495 ' CD ' ' N ' ' A' ' 547' ' ' LEU . 1.7 pp0? -107.62 -30.3 8.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 0.2 OUTLIER 76.36 105.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.694 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 18.5 m -163.06 -47.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 83.96 -45.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -37.94 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.477 ' HG3' HG21 ' A' ' 548' ' ' THR . 18.1 mt-30 -68.24 -39.09 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.775 HD13 HD12 ' A' ' 555' ' ' LEU . 7.2 mm -67.5 -31.17 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.51 67.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 2.6 mmm -78.36 -8.62 58.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.775 HD12 HD13 ' A' ' 552' ' ' ILE . 31.7 mt -99.08 147.31 33.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 174.15 13.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -40.67 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.73 -9.48 28.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -111.55 -36.92 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.843 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 1.1 ttp180 -46.7 -60.62 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.587 ' OE1' HD22 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -63.56 -30.78 71.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . . . . . . . . . 3.1 t -51.49 -34.5 36.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.1 tt -62.31 -41.44 91.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.763 ' HA ' HD13 ' A' ' 541' ' ' ILE . 1.1 tt -58.43 -34.32 70.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 82.8 mt -72.35 -45.82 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -44.84 82.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.808 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.1 OUTLIER -67.32 -35.67 79.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 6.3 mm-40 -60.85 -36.23 78.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.3 -38.52 91.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 567' ' ' LYS . 26.3 mt -59.52 -41.94 86.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.0 -34.69 78.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 52.9 85.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.414 1.071 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.63 164.9 18.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 4.2 m -139.54 94.32 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.357 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 163.84 -131.89 2.58 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -109.77 157.13 38.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 530' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.411 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -37.64 111.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.452 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 73.2 p -41.9 164.54 0.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.0 -18.77 18.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.605 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.48 -39.29 74.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.605 ' N ' HE21 ' A' ' 533' ' ' GLN . 7.6 t70 -66.99 -37.24 83.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.407 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 1.7 m-70 -74.65 -26.92 60.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.58 9.22 30.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.471 ' CG ' HD12 ' A' ' 564' ' ' LEU . 13.7 tttt -70.11 -22.97 62.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -62.44 -33.56 75.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -57.74 -37.24 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.671 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.9 tp -68.7 -33.36 73.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.85 HG22 HD23 ' A' ' 545' ' ' LEU . 7.0 mm -87.08 -19.37 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.532 ' N ' ' O ' ' A' ' 538' ' ' ALA . 7.5 mtt -58.08 -35.54 71.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -63.85 -48.32 77.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.69 -34.69 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.85 HD23 HG22 ' A' ' 541' ' ' ILE . 0.7 OUTLIER -53.17 -87.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.642 ' O ' HD23 ' A' ' 547' ' ' LEU . 3.0 pm0 -103.86 -32.03 9.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 547' ' ' LEU . 0.3 OUTLIER 88.45 42.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.73 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 3.8 m -147.07 -48.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 88.56 -33.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.599 ' H ' HG22 ' A' ' 548' ' ' THR . 12.0 t0 -59.99 -39.29 85.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -64.59 -43.58 93.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.494 ' HA ' HD12 ' A' ' 555' ' ' LEU . 0.3 OUTLIER -74.77 -25.79 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.59 61.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 7.2 mtp -77.88 -11.53 59.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 552' ' ' ILE . 15.8 mt -86.32 155.27 57.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.08 13.4 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -41.98 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -64.98 -10.03 26.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.556 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.2 mt-30 -106.39 -34.59 7.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.664 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.8 OUTLIER -43.77 -57.63 3.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -57.99 -29.66 65.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.9 t -47.24 -35.34 7.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.011 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 27.2 mm -62.74 -36.75 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 564' ' ' LEU . 0.9 OUTLIER -67.2 -39.55 86.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.409 ' N ' HD23 ' A' ' 564' ' ' LEU . 16.4 mm -64.06 -47.41 90.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -34.39 76.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.724 ' HE2' HD12 ' A' ' 570' ' ' ILE . 1.9 mmtt -61.41 -42.14 98.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.86 -35.42 78.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . 0.459 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -64.45 -39.04 93.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.724 HD12 ' HE2' ' A' ' 567' ' ' LYS . 96.4 mt -59.71 -40.97 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -60.61 -34.38 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt 61.11 174.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.41 157.84 24.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 88.9 m 66.07 89.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 153.24 -76.93 0.22 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.108 . . . . 0.0 111.044 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.706 ' HB3' ' HD3' ' A' ' 577' ' ' PRO . . . -71.27 -50.07 11.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 576' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -38.88 121.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 111.02 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.2 OUTLIER -44.5 169.27 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.421 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -74.94 -18.9 18.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.412 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.82 -40.14 76.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.412 ' N ' HE21 ' A' ' 533' ' ' GLN . 4.1 t70 -67.01 -37.03 83.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -75.14 -39.75 60.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -83.08 5.51 22.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.434 ' CG ' HD12 ' A' ' 564' ' ' LEU . 0.4 OUTLIER -64.9 -23.26 67.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.961 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -63.1 -33.26 75.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.52 -38.65 72.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.405 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 2.8 tp -68.55 -33.35 73.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.819 HG22 HD23 ' A' ' 545' ' ' LEU . 2.2 mt -95.59 9.33 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.784 ' SD ' ' HB2' ' A' ' 549' ' ' ALA . 1.1 ttp -66.01 -45.54 81.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.405 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.1 OUTLIER -71.62 -38.74 70.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.97 -32.96 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.819 HD23 HG22 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -73.83 -101.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.497 ' OE1' ' CB ' ' A' ' 548' ' ' THR . 0.3 OUTLIER -107.25 -23.06 12.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.544 HD23 ' HE3' ' A' ' 542' ' ' MET . 0.9 OUTLIER 72.39 92.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.672 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 68.0 m -157.01 -47.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.784 ' HB2' ' SD ' ' A' ' 542' ' ' MET . . . 83.68 -45.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.2 -38.69 80.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.445 ' NE2' ' HG2' ' A' ' 546' ' ' GLN . 13.7 mt-30 -69.11 -39.22 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.745 ' HA ' HD12 ' A' ' 555' ' ' LEU . 3.6 mm -74.65 -27.8 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -74.92 -39.49 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 551' ' ' GLN . 5.5 ppp? -86.14 -5.7 59.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 552' ' ' ILE . 3.5 mt -72.76 153.38 91.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -74.95 173.79 13.89 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -32.84 4.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.546 1.814 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.63 0.03 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.408 ' HA ' ' OG ' ' A' ' 562' ' ' SER . 2.1 mt-30 -119.47 -40.54 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.961 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 1.1 mmm180 -44.8 -56.49 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.1 OUTLIER -76.36 -32.56 58.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.408 ' OG ' ' HA ' ' A' ' 559' ' ' GLN . 19.4 p -44.85 -38.33 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.6 mm -59.84 -40.43 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.538 HD23 ' C ' ' A' ' 564' ' ' LEU . 2.5 tt -64.29 -39.9 94.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.172 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.42 -47.47 91.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -35.19 78.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.764 ' HG3' HG21 ' A' ' 541' ' ' ILE . 1.4 mmtt -65.72 -36.96 85.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.96 -41.87 99.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -66.86 -40.78 87.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.09 -36.89 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.22 -31.99 73.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.235 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 574' ' ' THR . 38.0 tttt -81.43 57.56 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 575' ' ' GLY . 1.9 t 63.67 -77.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 572' ' ' LYS . 1.4 m 63.53 -77.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 573' ' ' SER . . . 170.21 -118.13 0.74 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -148.68 93.79 4.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.723 ' C ' HG23 ' A' ' 531' ' ' THR . 0.0 OUTLIER -86.79 72.57 10.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.723 HG23 ' C ' ' A' ' 530' ' ' MET . 0.5 OUTLIER 63.07 -173.71 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.06 -16.62 19.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -40.01 75.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.469 ' HB2' ' CB ' ' A' ' 530' ' ' MET . 25.4 t0 -60.35 -37.83 81.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' A' ' 557' ' ' PRO . 93.6 m-70 -80.02 -24.91 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.645 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.83 -4.84 51.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.475 ' HB3' HD12 ' A' ' 564' ' ' LEU . 17.4 mmtt -63.86 -22.86 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.732 ' HB3' ' HG2' ' A' ' 560' ' ' ARG . . . -70.6 -32.96 70.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -53.79 -36.44 62.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.837 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.2 tp -67.95 -31.37 71.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.545 HD12 ' HD2' ' A' ' 567' ' ' LYS . 30.7 mm -88.98 -19.61 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 538' ' ' ALA . 15.7 mtt -56.94 -39.77 75.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -41.59 76.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 48.7 t -64.38 -34.67 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.541 HD23 HG22 ' A' ' 541' ' ' ILE . 0.2 OUTLIER -52.98 -96.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 2.7 pm0 -104.6 -21.23 13.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 90.92 33.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.69 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 90.1 m -130.35 -48.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 85.19 -12.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.634 ' HB2' HG22 ' A' ' 548' ' ' THR . 3.6 t70 -66.22 -42.75 88.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.77 ' H ' ' NE2' ' A' ' 551' ' ' GLN . 2.5 mp0 -61.55 -44.43 97.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 555' ' ' LEU . 1.3 mm -74.55 -26.81 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.26 66.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.485 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 2.0 ppp? -81.17 -5.84 58.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 552' ' ' ILE . 40.8 mt -95.15 151.13 38.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.18 11.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.425 ' O ' ' ND1' ' A' ' 535' ' ' HIS . 18.3 Cg_endo -75.0 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -61.32 -13.45 19.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.1 mt-30 -106.24 -34.04 7.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.732 ' HG2' ' HB3' ' A' ' 538' ' ' ALA . 0.8 OUTLIER -46.21 -58.94 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.592 HE22 HD11 ' A' ' 565' ' ' ILE . 0.0 OUTLIER -54.08 -29.54 44.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.1 t -51.6 -34.64 38.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 50.1 mm -62.61 -39.47 84.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.532 HD23 ' C ' ' A' ' 564' ' ' LEU . 1.3 tt -60.61 -39.04 86.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.592 HD11 HE22 ' A' ' 561' ' ' GLN . 75.9 mt -66.89 -46.71 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -34.29 77.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.545 ' HD2' HD12 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -60.71 -36.8 79.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.32 -40.69 98.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -67.79 -38.64 83.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.537 HD12 ' HE2' ' A' ' 567' ' ' LYS . 74.0 mt -59.33 -34.87 55.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -60.58 -31.88 71.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.93 175.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.47 138.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 3.3 t -145.67 134.33 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -78.85 95.47 1.38 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -135.15 156.32 78.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 111.042 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.57 ' HB3' ' CE1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER -37.96 111.73 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.461 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 70.7 p -41.71 164.51 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.06 -17.86 19.07 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.809 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.618 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.47 -38.88 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.618 ' N ' HE21 ' A' ' 533' ' ' GLN . 26.4 t70 -62.02 -44.25 97.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 20.1 m-70 -67.5 -26.42 66.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -82.57 3.89 26.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.874 ' O ' HD12 ' A' ' 541' ' ' ILE . 25.8 mmtt -64.39 -22.92 67.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.97 -31.13 69.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.486 ' O ' ' CG ' ' A' ' 542' ' ' MET . . . -56.33 -44.5 80.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.6 OUTLIER -68.53 -41.59 79.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.874 HD12 ' O ' ' A' ' 537' ' ' LYS . 2.7 mt -81.37 -4.2 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.601 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -66.86 -33.64 76.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 5.7 mt-30 -63.51 -46.78 84.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 33.6 t -63.5 -32.24 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 541' ' ' ILE . 2.8 mm? -67.29 -99.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.413 HE21 ' N ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -107.41 -23.76 12.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.762 ' O ' HG23 ' A' ' 548' ' ' THR . 4.8 tp 66.64 84.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 547' ' ' LEU . 1.4 p -161.54 -44.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 84.65 -44.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -59.68 -38.83 82.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.67 -38.82 90.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.92 -28.59 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.87 70.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 4.5 mmt -81.84 -3.59 54.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 11.7 mt -94.29 146.14 31.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.4 Cg_endo -74.97 173.51 14.39 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.7 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -68.66 -6.36 25.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.2 mt-30 -114.69 -38.09 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 2.5 ttp180 -51.56 -62.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -24.82 56.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -47.35 -37.38 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.421 HG22 HD13 ' A' ' 541' ' ' ILE . 3.2 mt -62.2 -41.21 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.581 HD12 ' CB ' ' A' ' 537' ' ' LYS . 1.3 tt -60.48 -34.01 73.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.467 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 4.0 mm -69.81 -46.56 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -33.72 74.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.608 ' HG3' HG21 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -60.87 -48.21 82.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 7.5 pt-20 -67.65 -35.45 78.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -63.3 -38.03 89.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 567' ' ' LYS . 54.4 mt -58.85 -40.81 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.0 -43.23 96.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.28 70.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.18 154.78 19.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 11.0 t -53.92 -34.67 60.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.417 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 138.25 -151.95 21.69 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . 63.62 68.85 0.85 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.75 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 24.3 m170 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.734 ' C ' HG23 ' A' ' 531' ' ' THR . 0.0 OUTLIER -170.39 -172.61 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.734 HG23 ' C ' ' A' ' 530' ' ' MET . 0.6 OUTLIER 64.74 -172.54 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -16.76 20.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.558 1.82 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 537' ' ' LYS . 0.0 OUTLIER -69.55 -39.87 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -67.01 -41.34 86.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -77.42 -26.35 51.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.632 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 24.7 tt0 -99.07 7.39 45.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 533' ' ' GLN . 5.9 mttt -69.88 -22.26 63.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.738 ' HB3' ' HG2' ' A' ' 560' ' ' ARG . . . -64.95 -33.72 76.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.465 ' HA ' ' CB ' ' A' ' 542' ' ' MET . . . -57.21 -36.51 70.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 1.023 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.2 OUTLIER -59.38 -33.28 71.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.51 HG21 ' CG ' ' A' ' 567' ' ' LYS . 3.3 mt -97.81 -14.22 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.561 ' CE ' ' HB2' ' A' ' 549' ' ' ALA . 12.4 tmm? -58.63 -34.37 71.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.5 OUTLIER -62.0 -44.49 96.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.51 -33.38 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.85 HD12 ' HG3' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -56.14 -89.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.85 ' HG3' HD12 ' A' ' 545' ' ' LEU . 0.0 OUTLIER -108.05 -35.18 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.717 ' O ' HG23 ' A' ' 548' ' ' THR . 2.9 tp 99.46 33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 547' ' ' LEU . 1.6 p -160.75 111.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.561 ' HB2' ' CE ' ' A' ' 542' ' ' MET . . . -63.79 -12.92 39.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.61 -45.78 92.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -68.86 -39.67 79.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.551 HG22 ' HD2' ' A' ' 560' ' ' ARG . 2.3 mm -73.45 -25.3 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -59.16 -22.21 60.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.491 ' C ' HD23 ' A' ' 555' ' ' LEU . 39.2 mtt -69.96 -21.62 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.685 HD23 ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -98.07 146.22 31.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.2 Cg_endo -75.01 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -66.34 -8.82 27.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.534 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.0 mt-30 -115.47 -39.12 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.738 ' HG2' ' HB3' ' A' ' 538' ' ' ALA . 1.2 ttp180 -41.44 -56.86 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -42.32 -33.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 57.0 p -43.4 -39.99 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.464 HD11 ' CD2' ' A' ' 545' ' ' LEU . 0.1 OUTLIER -59.94 -43.19 91.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.521 HD23 ' C ' ' A' ' 564' ' ' LEU . 1.0 OUTLIER -59.38 -35.59 74.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 24.7 mt -72.19 -44.99 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -44.82 85.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.782 ' HA ' HD12 ' A' ' 570' ' ' ILE . 4.1 tptt -68.88 -36.58 78.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 15.3 mm-40 -60.99 -36.04 78.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -62.6 -38.16 89.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 567' ' ' LYS . 30.8 mt -59.21 -41.88 85.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.12 -39.94 90.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -67.86 145.75 54.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 4.6 t -76.4 81.37 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 39.6 m -76.34 140.19 41.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -48.37 -58.3 7.41 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -115.28 90.81 25.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 0.0 111.023 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.545 ' CE ' ' NE2' ' A' ' 535' ' ' HIS . 0.2 OUTLIER -150.1 136.9 19.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.545 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 30.0 p -43.93 169.94 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.545 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.07 -22.4 14.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.625 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -71.61 -38.73 70.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.625 ' N ' HE21 ' A' ' 533' ' ' GLN . 6.9 t70 -61.56 -37.68 84.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 557' ' ' PRO . 1.3 m-70 -75.01 -34.1 61.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -89.47 11.31 19.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.755 ' CD ' HD12 ' A' ' 564' ' ' LEU . 1.8 tttt -70.71 -23.05 62.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -62.24 -32.41 73.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.469 ' HA ' ' CE ' ' A' ' 542' ' ' MET . . . -56.2 -38.13 70.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.941 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.6 OUTLIER -68.92 -31.28 70.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 541' ' ' ILE . 5.6 mt -96.89 7.11 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.469 ' CE ' ' HA ' ' A' ' 539' ' ' ALA . 0.0 OUTLIER -65.61 -44.86 85.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -65.75 -39.19 90.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 7.8 t -65.18 -33.24 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.477 ' CD2' ' OE1' ' A' ' 546' ' ' GLN . 63.3 tp -68.36 -99.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.546 ' CB ' ' NE2' ' A' ' 551' ' ' GLN . 3.2 pm0 -105.64 -34.97 7.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.489 ' N ' ' HG2' ' A' ' 546' ' ' GLN . 0.0 OUTLIER 84.63 74.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.764 HG22 ' H ' ' A' ' 550' ' ' ASP . 1.2 m -168.18 -41.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.46 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.764 ' H ' HG22 ' A' ' 548' ' ' THR . 0.4 OUTLIER -60.4 -39.38 87.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.546 ' NE2' ' CB ' ' A' ' 546' ' ' GLN . 19.0 mt-30 -69.05 -39.38 79.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.625 HD11 HD12 ' A' ' 563' ' ' ILE . 0.9 OUTLIER -74.5 -28.23 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -60.38 -30.39 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.5 -5.94 51.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 3.7 mt -95.25 143.86 26.83 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -75.03 173.57 14.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.603 ' O ' ' CE1' ' A' ' 535' ' ' HIS . 18.4 Cg_endo -75.0 -37.29 2.09 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.511 1.795 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -70.47 -4.78 24.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.5 mt-30 -117.33 -39.79 3.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.58 -56.36 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -57.46 -32.63 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.8 t -45.16 -34.08 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.625 HD12 HD11 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -62.52 -40.04 86.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.755 HD12 ' CD ' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -59.89 -36.61 77.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.632 HD13 ' CD2' ' A' ' 564' ' ' LEU . 22.1 mm -71.66 -44.82 69.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -45.44 85.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.555 ' HA ' HD12 ' A' ' 570' ' ' ILE . 5.6 tptp -69.77 -37.56 76.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.13 -37.73 86.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.58 -38.96 89.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 567' ' ' LYS . 31.0 mt -63.88 -38.5 82.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.6 -35.53 79.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.86 133.35 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.83 161.33 28.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 18.0 m 61.04 103.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.424 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -145.42 -101.54 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . 62.5 156.23 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.559 1.82 . . . . 0.0 111.036 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 43.5 m170 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.715 ' C ' HG23 ' A' ' 531' ' ' THR . 9.0 mtm -66.95 -35.09 79.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.715 HG23 ' C ' ' A' ' 530' ' ' MET . 0.5 OUTLIER 62.57 -174.92 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.547 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.6 Cg_endo -74.89 -18.93 18.62 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.439 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -67.43 -38.21 84.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.462 ' CB ' ' HB3' ' A' ' 530' ' ' MET . 37.2 t70 -59.19 -38.81 80.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -70.57 -26.77 63.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.49 8.27 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.48 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 7.2 mmmt -70.13 -22.57 62.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.503 ' HB2' ' HA ' ' A' ' 561' ' ' GLN . . . -63.59 -32.33 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -55.39 -37.61 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.611 ' O ' HD12 ' A' ' 540' ' ' LEU . 2.3 tp -69.15 -33.13 72.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.64 HG23 ' HG2' ' A' ' 567' ' ' LYS . 3.0 mm -83.77 -23.01 8.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.541 ' HE1' ' HB2' ' A' ' 549' ' ' ALA . 3.4 tmm? -57.02 -35.44 69.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 540' ' ' LEU . 2.9 mt-30 -69.36 -38.17 77.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.9 t -61.97 -33.51 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.84 -103.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' A' ' 547' ' ' LEU . 2.9 pp0? -107.88 -24.29 11.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.771 ' C ' HD12 ' A' ' 547' ' ' LEU . 0.1 OUTLIER 79.28 102.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.706 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 1.2 m -170.85 -43.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 86.56 -35.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.644 ' H ' HG22 ' A' ' 548' ' ' THR . 2.1 t0 -59.35 -37.0 76.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.414 ' NE2' ' HG2' ' A' ' 546' ' ' GLN . 1.1 mt-30 -61.27 -45.31 95.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.631 HD11 HD12 ' A' ' 563' ' ' ILE . 1.2 mp -75.84 -30.75 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.91 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 551' ' ' GLN . 2.9 ptm -79.82 -0.5 34.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 4.8 mt -106.54 146.96 34.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -74.93 174.63 12.43 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -37.96 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -69.12 -6.8 30.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.6 mt-30 -119.01 -35.45 3.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.528 ' CG ' HG23 ' A' ' 552' ' ' ILE . 0.1 OUTLIER -45.31 -71.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.627 ' NE2' HD11 ' A' ' 565' ' ' ILE . 0.0 OUTLIER -47.85 -33.95 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.7 OUTLIER -44.14 -35.65 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.631 HD12 HD11 ' A' ' 552' ' ' ILE . 0.1 OUTLIER -62.04 -43.89 98.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.568 HD23 ' C ' ' A' ' 564' ' ' LEU . 1.7 tt -59.65 -38.67 82.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.627 HD11 ' NE2' ' A' ' 561' ' ' GLN . 50.8 mt -69.93 -44.18 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -37.98 89.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.926 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.5 OUTLIER -69.24 -40.77 77.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.53 -35.27 77.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . 0.455 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 3.5 mt-30 -62.08 -38.57 89.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.926 HD12 ' HA ' ' A' ' 567' ' ' LYS . 16.1 mt -59.54 -41.7 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 567' ' ' LYS . 1.4 mt-30 -61.26 -40.13 92.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -75.27 162.42 28.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.21 117.56 9.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 21.8 m -51.22 144.97 8.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 175.05 -68.28 0.1 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -58.21 159.62 10.91 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 47.3 t60 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.8 119.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.041 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.419 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.7 OUTLIER -43.17 167.09 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.04 -20.55 16.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.604 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.95 -40.06 75.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.604 ' N ' HE21 ' A' ' 533' ' ' GLN . 6.9 t70 -63.09 -37.69 88.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -77.49 -25.86 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.617 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -97.42 8.32 44.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.728 ' CB ' HD12 ' A' ' 564' ' ' LEU . 0.1 OUTLIER -69.78 -22.48 63.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.21 -32.29 72.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.538 ' O ' ' HE2' ' A' ' 542' ' ' MET . . . -56.89 -38.48 72.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.431 ' HA ' ' NE2' ' A' ' 543' ' ' GLN . 2.9 tp -69.18 -35.21 76.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.961 HG22 HD12 ' A' ' 545' ' ' LEU . 13.8 mm -84.15 -22.57 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.888 ' SD ' ' HB2' ' A' ' 549' ' ' ALA . 0.0 OUTLIER -58.33 -32.86 68.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.492 ' N ' ' HG2' ' A' ' 542' ' ' MET . 3.5 mt-30 -63.34 -49.72 72.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 2.1 t -73.1 -34.09 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.961 HD12 HG22 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -55.88 -86.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.625 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.71 -31.85 9.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.625 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER 98.28 14.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.97 128.43 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.888 ' HB2' ' SD ' ' A' ' 542' ' ' MET . . . -80.66 -0.97 40.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.45 -47.15 87.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.429 ' NE2' ' HB2' ' A' ' 546' ' ' GLN . 1.8 mp0 -69.01 -39.4 79.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 1.114 HD13 HD12 ' A' ' 555' ' ' LEU . 8.0 mm -68.07 -32.78 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.2 -32.36 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.08 -2.68 58.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 1.114 HD12 HD13 ' A' ' 552' ' ' ILE . 87.4 mt -95.79 147.38 32.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.71 14.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.556 1.819 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -40.42 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.04 -9.04 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -111.19 -37.39 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.451 ' CD ' HG23 ' A' ' 552' ' ' ILE . 2.9 ttp180 -54.29 -67.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.422 ' NE2' HG13 ' A' ' 565' ' ' ILE . 0.1 OUTLIER -54.14 -18.88 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.9 OUTLIER -56.16 -34.86 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 13.3 mt -62.29 -38.84 82.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.728 HD12 ' CB ' ' A' ' 537' ' ' LYS . 2.8 tt -60.53 -37.93 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.422 HG13 ' NE2' ' A' ' 561' ' ' GLN . 85.6 mt -66.71 -47.59 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -35.1 78.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.626 ' CG ' HG21 ' A' ' 541' ' ' ILE . 2.9 mmtt -61.63 -36.83 81.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.81 -37.74 88.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -64.98 -39.76 93.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.64 -36.99 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 567' ' ' LYS . 1.4 mp0 -65.84 -38.51 89.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 574' ' ' THR . 6.5 mttt 66.16 157.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.53 95.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.036 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 574' ' ' THR . 9.4 t -166.93 72.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.454 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -179.99 -94.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.716 ' HB3' ' HD3' ' A' ' 577' ' ' PRO . . . -63.36 -50.03 76.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 576' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 530' ' ' MET . 14.1 m-70 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 529' ' ' HIS . 0.0 OUTLIER -37.55 99.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.425 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.7 OUTLIER -52.82 167.0 0.42 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -74.99 -9.18 20.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.425 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 3.6 pp0? -70.54 -39.24 74.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -61.35 -40.91 96.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -74.23 -25.97 59.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.589 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -85.24 4.37 35.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.699 ' HB3' HD12 ' A' ' 564' ' ' LEU . 3.0 mmpt? -63.99 -23.2 67.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -62.44 -34.28 76.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -63.68 -36.97 85.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.452 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 0.0 OUTLIER -68.32 -33.11 73.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.881 HD13 ' HA ' ' A' ' 564' ' ' LEU . 0.5 OUTLIER -89.56 -17.66 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.81 ' CE ' HD13 ' A' ' 552' ' ' ILE . 4.4 mmt -58.22 -35.48 71.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.523 ' HA ' ' CB ' ' A' ' 547' ' ' LEU . 1.3 mt-30 -66.5 -38.28 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 36.3 t -62.01 -32.76 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.647 HD21 ' HD3' ' A' ' 567' ' ' LYS . 4.5 mm? -78.52 -98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.614 ' NE2' ' N ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -106.55 -30.6 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.614 ' N ' ' NE2' ' A' ' 546' ' ' GLN . 0.0 OUTLIER 78.85 92.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.731 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 17.4 m -160.98 -44.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.36 -34.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.601 ' HB2' HG22 ' A' ' 548' ' ' THR . 0.5 OUTLIER -59.19 -36.81 76.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -45.16 95.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.81 HD13 ' CE ' ' A' ' 542' ' ' MET . 0.5 OUTLIER -75.18 -33.04 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.18 -22.44 60.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 3.1 mmm -84.25 -5.41 59.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 20.4 mt -106.82 155.2 39.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.58 12.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.91 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.13 -9.48 31.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.6 mt-30 -116.44 -35.99 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -42.13 -60.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -31.65 67.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.9 t -46.58 -35.51 5.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 567' ' ' LYS . 1.8 tp -62.38 -43.88 98.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.881 ' HA ' HD13 ' A' ' 541' ' ' ILE . 1.4 tt -58.95 -39.49 81.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.464 HG22 HE21 ' A' ' 569' ' ' GLN . 85.9 mt -65.03 -45.39 94.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -38.41 79.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.841 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.0 OUTLIER -69.88 -48.55 58.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -65.06 -33.26 75.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . 0.519 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 6.8 mt-30 -61.59 -38.23 86.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.841 HD12 ' HA ' ' A' ' 567' ' ' LYS . 11.1 mt -59.07 -36.42 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -60.38 -42.87 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 10.1 mttt 63.26 107.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 3.3 t -148.23 -57.92 0.23 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 20.3 m 62.73 70.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.391 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -95.56 -59.46 1.08 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -120.19 159.09 48.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.781 ' C ' HG23 ' A' ' 531' ' ' THR . 1.5 ttp -97.01 64.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.781 HG23 ' C ' ' A' ' 530' ' ' MET . 0.8 OUTLIER 68.61 178.2 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.01 -18.94 18.29 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.474 1.776 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -39.59 79.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 530' ' ' MET . 24.4 t0 -61.69 -49.71 75.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 558' ' ' GLU . 95.2 m-70 -67.81 -25.67 65.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -78.28 0.44 25.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.565 ' HB3' HD13 ' A' ' 564' ' ' LEU . 0.2 OUTLIER -64.1 -22.82 67.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.525 ' HB3' ' HG2' ' A' ' 560' ' ' ARG . . . -69.35 -27.88 65.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -50.77 -37.28 41.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.705 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.5 tp -61.86 -32.58 72.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.703 HD12 ' HD2' ' A' ' 567' ' ' LYS . 3.1 mm -95.55 -15.15 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 546' ' ' GLN . 28.8 ttm -58.3 -32.27 68.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.3 OUTLIER -61.59 -42.96 99.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.37 -42.5 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.462 ' HB3' HD11 ' A' ' 552' ' ' ILE . 0.2 OUTLIER -93.41 19.47 8.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -84.72 -6.98 59.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 5.3 tt -39.59 -29.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.73 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 0.7 OUTLIER -135.19 -49.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.408 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.03 -32.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -59.67 -37.79 79.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.43 ' O ' ' HG ' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -62.75 -45.32 93.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.462 HD11 ' HB3' ' A' ' 545' ' ' LEU . 3.0 mm -74.5 -41.56 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.4 -22.27 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.4 mmm -80.6 -9.69 59.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 551' ' ' GLN . 16.3 mt -103.9 147.5 34.38 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -74.92 175.39 11.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 556' ' ' PRO . 18.3 Cg_endo -75.03 -38.6 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . 0.445 ' HA ' ' CE1' ' A' ' 535' ' ' HIS . 25.9 tt0 -69.0 -6.0 25.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.4 mt-30 -116.99 -35.84 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.525 ' HG2' ' HB3' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -40.85 -56.25 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.5 OUTLIER -47.81 -34.47 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 4.9 t -45.89 -33.58 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 563' ' ' ILE . 10.8 mm -61.54 -39.19 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.687 HD23 HD13 ' A' ' 565' ' ' ILE . 1.4 tt -60.68 -34.55 74.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.687 HD13 HD23 ' A' ' 564' ' ' LEU . 18.7 mm -71.93 -45.56 63.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -45.47 83.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.812 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.1 OUTLIER -69.34 -35.94 76.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 2.6 tt0 -60.66 -35.59 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -65.09 -37.88 88.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 567' ' ' LYS . 32.4 mt -58.78 -35.91 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -61.86 -32.6 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -76.7 122.42 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.82 108.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 4.4 m -57.69 120.51 8.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 178.13 143.24 5.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -118.23 87.02 28.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.765 ' C ' HG23 ' A' ' 531' ' ' THR . 1.0 OUTLIER -95.08 64.18 2.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.765 HG23 ' C ' ' A' ' 530' ' ' MET . 1.5 p 72.11 179.5 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -36.55 2.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -55.67 -37.29 68.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 530' ' ' MET . 12.3 t0 -58.74 -45.55 89.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 561' ' ' GLN . 56.1 m-70 -78.01 -25.85 48.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.636 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.8 -0.89 55.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.647 ' CB ' HD12 ' A' ' 564' ' ' LEU . 0.7 OUTLIER -68.21 -23.1 64.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.783 ' HB3' ' HG2' ' A' ' 560' ' ' ARG . . . -71.78 -30.5 65.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.405 ' HA ' ' HB2' ' A' ' 542' ' ' MET . . . -53.78 -40.97 66.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.5 tp -67.61 -34.16 76.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.765 HG22 HD23 ' A' ' 545' ' ' LEU . 6.3 mm -92.28 6.35 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.471 ' SD ' ' CG2' ' A' ' 552' ' ' ILE . 2.7 ttp -65.92 -45.02 83.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -68.11 -39.27 82.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 31.2 t -68.05 -33.69 62.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.765 HD23 HG22 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -55.4 -96.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.548 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.32 -15.89 15.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.548 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER 91.69 29.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.401 ' OG1' ' C ' ' A' ' 547' ' ' LEU . 2.4 m -153.47 139.7 18.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 553' ' ' ALA . . . -90.11 -20.24 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.88 -38.61 86.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -68.68 -45.62 71.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.696 ' HA ' HD12 ' A' ' 555' ' ' LEU . 0.2 OUTLIER -74.58 -30.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -61.11 -23.43 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.88 -0.84 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 552' ' ' ILE . 40.3 mt -99.17 150.13 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.59 12.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -43.56 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.781 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.1 -13.03 22.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.3 mt-30 -104.67 -37.92 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.783 ' HG2' ' HB3' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -54.29 -62.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.435 ' CG ' ' OD1' ' A' ' 534' ' ' ASP . 0.4 OUTLIER -50.79 -28.71 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.249 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.631 ' HA ' HD12 ' A' ' 565' ' ' ILE . 0.3 OUTLIER -50.62 -32.53 19.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.406 HD13 ' HG ' ' A' ' 545' ' ' LEU . 19.6 mt -65.15 -38.5 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.647 HD12 ' CB ' ' A' ' 537' ' ' LYS . 1.1 tt -61.43 -38.72 88.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 562' ' ' SER . 24.6 mt -64.9 -47.96 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -35.61 78.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.172 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.853 ' HA ' HD12 ' A' ' 570' ' ' ILE . 4.5 mmtt -62.02 -41.03 97.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -63.47 -36.5 83.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -64.92 -38.99 92.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 567' ' ' LYS . 20.9 mt -59.72 -38.86 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -33.46 76.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.5 mttt 59.43 96.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.97 97.31 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 5.4 t -56.54 144.03 33.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 576' ' ' ALA . . . -165.15 -97.87 0.12 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 575' ' ' GLY . . . 40.49 70.24 1.6 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . 0.513 ' CG ' ' O ' ' A' ' 529' ' ' HIS . 8.3 t60 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -37.62 112.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.449 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 68.3 p -41.42 164.01 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -74.99 -19.68 17.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.626 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.57 -39.19 74.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.138 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.626 ' N ' HE21 ' A' ' 533' ' ' GLN . 9.7 t0 -62.86 -48.9 77.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.485 ' C ' ' ND1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER -67.08 -25.48 66.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -76.93 -0.86 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.651 ' CB ' HD12 ' A' ' 564' ' ' LEU . 3.1 mmpt? -63.63 -22.58 66.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.71 -32.39 72.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 542' ' ' MET . . . -57.0 -38.03 72.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 540' ' ' LEU . 2.1 tp -68.87 -39.16 79.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.606 HG21 ' HG3' ' A' ' 567' ' ' LYS . 10.1 mm -80.98 -21.91 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.596 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -58.4 -33.29 69.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.491 ' N ' ' HG2' ' A' ' 542' ' ' MET . 3.5 mt-30 -68.37 -48.22 65.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 17.9 t -71.44 -33.95 51.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.983 HD23 ' CD ' ' A' ' 546' ' ' GLN . 6.1 tp -54.46 -87.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.983 ' CD ' HD23 ' A' ' 545' ' ' LEU . 0.0 OUTLIER -104.46 -30.29 10.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.634 ' O ' HD23 ' A' ' 547' ' ' LEU . 2.3 tt 93.33 24.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 3.0 p -144.73 104.4 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' A' ' 553' ' ' ALA . . . -62.83 -15.89 56.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.45 -42.41 87.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -65.44 -45.48 83.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.807 HD11 HD22 ' A' ' 545' ' ' LEU . 0.6 OUTLIER -74.8 -26.16 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -60.6 -22.47 63.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.91 -10.88 59.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.74 140.03 67.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 174.68 12.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.6 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.02 128.86 11.8 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 0.7 OUTLIER 95.9 -22.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.81 -30.66 24.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.487 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 5.5 mtm180 -60.52 -58.2 9.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -38.86 -29.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 560' ' ' ARG . 7.8 t -44.57 -36.79 3.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.444 HD12 HD13 ' A' ' 545' ' ' LEU . 4.1 mm -61.83 -40.33 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.651 HD12 ' CB ' ' A' ' 537' ' ' LYS . 2.5 tt -62.96 -38.89 92.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 19.2 mm -65.16 -46.85 89.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.72 -35.01 79.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.612 ' HE2' HD12 ' A' ' 570' ' ' ILE . 0.1 OUTLIER -61.5 -36.81 81.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.08 -36.39 81.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -40.52 87.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.612 HD12 ' HE2' ' A' ' 567' ' ' LYS . 62.6 mt -59.54 -37.84 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -65.9 -36.52 83.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 4.5 mttm 64.06 76.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 4.2 t -165.45 85.52 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 18.3 m 47.56 94.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -80.44 153.21 34.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -122.08 155.45 61.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.576 1.829 . . . . 0.0 111.058 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 1.1 mmt -59.04 165.52 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.608 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.6 OUTLIER -90.8 -171.63 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.608 ' CD ' ' CB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -74.98 -16.33 20.31 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 111.025 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.42 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.5 OUTLIER -70.37 -45.72 65.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 537' ' ' LYS . 19.6 t70 -65.07 -37.64 88.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -78.59 -25.97 45.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.609 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 28.9 tt0 -96.36 9.12 42.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.867 ' CB ' HD12 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -69.62 -22.77 63.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -68.12 -31.71 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -56.38 -36.7 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.894 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.8 OUTLIER -70.19 -33.24 71.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 537' ' ' LYS . 3.4 mt -93.63 -0.17 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.734 ' CE ' ' HB1' ' A' ' 549' ' ' ALA . 0.0 OUTLIER -65.56 -44.49 86.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.521 ' HB2' HD12 ' A' ' 547' ' ' LEU . 0.1 OUTLIER -70.33 -37.97 74.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 44.1 t -63.0 -32.81 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 545' ' ' LEU . 0.2 OUTLIER -61.54 -81.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.223 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.673 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.9 OUTLIER -105.27 -36.87 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.673 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 14.8 tp 103.35 15.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.698 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 55.2 m -129.74 -40.42 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.734 ' HB1' ' CE ' ' A' ' 542' ' ' MET . . . 84.47 -8.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.591 ' HB2' HG22 ' A' ' 548' ' ' THR . 2.1 t0 -60.27 -40.7 91.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.418 ' CD ' ' H ' ' A' ' 551' ' ' GLN . 4.0 mp0 -69.36 -45.14 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.653 HG21 ' HG3' ' A' ' 542' ' ' MET . 2.8 mm -68.36 -27.12 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.67 -22.97 64.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.4 mmm -91.48 -1.28 57.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.609 HD12 HD13 ' A' ' 552' ' ' ILE . 11.4 mt -92.43 146.74 33.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.13 13.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.32 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -67.31 -8.14 29.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.2 mt-30 -114.73 -36.99 4.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -46.36 -58.8 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.492 HE22 HD11 ' A' ' 565' ' ' ILE . 0.5 OUTLIER -56.7 -29.98 63.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.0 OUTLIER -47.96 -29.23 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 541' ' ' ILE . 0.1 OUTLIER -67.29 -37.45 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.867 HD12 ' CB ' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -59.99 -34.93 74.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.492 HD11 HE22 ' A' ' 561' ' ' GLN . 82.4 mt -72.36 -44.41 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -44.79 90.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.926 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.0 OUTLIER -68.42 -39.03 81.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.41 -36.01 79.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -65.94 -38.26 88.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.926 HD12 ' HA ' ' A' ' 567' ' ' LYS . 23.7 mt -59.13 -40.9 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.97 -32.39 73.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -72.57 117.28 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 47.1 t -146.57 -52.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 6.0 m -131.61 93.28 3.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 85.33 -138.14 16.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -136.19 154.53 77.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.034 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 58.7 m170 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.22 125.84 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.87 175.65 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -15.17 21.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.616 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -68.93 -42.0 77.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.616 ' N ' HE21 ' A' ' 533' ' ' GLN . 10.1 t70 -69.26 -37.77 78.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -26.38 66.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.571 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -84.38 7.35 19.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.642 ' O ' HD23 ' A' ' 540' ' ' LEU . 28.6 mmtt -66.47 -23.03 66.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -67.7 -33.66 75.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.453 ' O ' ' HE3' ' A' ' 542' ' ' MET . . . -58.52 -36.33 73.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 537' ' ' LYS . 0.4 OUTLIER -65.96 -33.47 75.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.52 HG21 ' HG3' ' A' ' 567' ' ' LYS . 5.2 mt -91.45 -17.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 538' ' ' ALA . 6.7 tmm? -58.95 -35.55 73.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 1.4 mt-30 -63.85 -48.9 74.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.34 -33.65 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.977 HD23 ' CD ' ' A' ' 546' ' ' GLN . 6.3 tp -55.27 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.977 ' CD ' HD23 ' A' ' 545' ' ' LEU . 0.0 OUTLIER -104.77 -31.37 9.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.605 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 1.4 tp 96.4 32.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 547' ' ' LEU . 3.0 p -155.4 132.58 10.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 553' ' ' ALA . . . -82.53 -24.1 34.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -60.96 -39.43 89.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.14 -44.29 84.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.549 HG23 HD12 ' A' ' 555' ' ' LEU . 0.4 OUTLIER -73.97 -29.14 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 549' ' ' ALA . . . -61.25 -22.7 65.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -83.24 -5.96 59.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.549 HD12 HG23 ' A' ' 552' ' ' ILE . 87.9 mt -78.37 142.43 62.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 174.53 12.63 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.6 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.4 Cg_endo -74.98 128.8 11.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . 0.6 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 1.2 tt0 94.22 -17.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.0 OUTLIER -88.07 -30.73 19.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.432 ' HD2' ' CG2' ' A' ' 552' ' ' ILE . 14.8 mtm180 -61.57 -62.06 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.464 ' OE1' HD22 ' A' ' 564' ' ' LEU . 0.1 OUTLIER -49.76 -22.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.482 ' HA ' HD12 ' A' ' 565' ' ' ILE . 1.4 t -51.71 -33.08 32.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.75 HD11 HD13 ' A' ' 545' ' ' LEU . 0.2 OUTLIER -63.81 -39.97 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 537' ' ' LYS . 2.6 tt -59.46 -34.15 72.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 562' ' ' SER . 44.3 mt -72.18 -45.8 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -34.78 78.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.52 ' HG3' HG21 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -61.17 -41.05 96.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.87 -34.09 75.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . 0.503 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 78.6 mt-30 -65.17 -38.96 92.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 567' ' ' LYS . 57.9 mt -59.7 -37.85 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.83 -43.38 93.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt 41.19 54.34 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 1.4 t -148.47 114.07 5.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 3.0 m 60.87 105.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -94.46 88.88 1.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -42.28 124.34 2.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 530' ' ' MET . 21.2 m-70 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 529' ' ' HIS . 0.0 OUTLIER -37.19 112.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 111.021 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.519 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 51.4 p -43.3 167.37 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.446 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.519 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.05 -13.22 21.37 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.463 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.1 OUTLIER -71.25 -40.09 71.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 537' ' ' LYS . 17.5 t0 -65.63 -37.72 87.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -68.02 -26.31 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.564 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.34 9.35 18.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 534' ' ' ASP . 0.4 OUTLIER -68.83 -23.1 64.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -63.88 -30.83 71.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.53 ' HA ' ' CG ' ' A' ' 542' ' ' MET . . . -54.71 -33.89 61.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.962 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -65.6 -28.29 69.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.683 HD13 ' HB3' ' A' ' 567' ' ' LYS . 8.0 mt -111.75 8.05 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.55 ' CE ' ' NH1' ' A' ' 560' ' ' ARG . 6.1 mtt -66.95 -32.71 74.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.0 OUTLIER -60.67 -41.08 94.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.7 -43.24 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 1.03 ' CD2' HD11 ' A' ' 552' ' ' ILE . 0.1 OUTLIER -95.74 24.05 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 109.348 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -92.44 -6.3 50.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 546' ' ' GLN . 0.5 OUTLIER -37.98 -31.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.698 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 23.6 m -133.35 -51.92 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 85.78 -21.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 554' ' ' MET . 6.6 t0 -66.48 -37.97 86.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.414 ' NE2' ' HB ' ' A' ' 548' ' ' THR . 0.0 OUTLIER -68.13 -45.66 73.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 1.03 HD11 ' CD2' ' A' ' 545' ' ' LEU . 9.4 mm -72.75 -41.92 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 549' ' ' ALA . . . -63.47 -39.02 93.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 550' ' ' ASP . 2.2 mmt -79.28 -8.55 59.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 552' ' ' ILE . 5.8 mt -81.27 148.87 64.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.4 Cg_endo -75.02 173.53 14.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.42 ' HA ' ' HG3' ' A' ' 560' ' ' ARG . 18.5 Cg_endo -74.97 -34.26 4.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.75 0.79 16.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 562' ' ' SER . 0.6 OUTLIER -121.17 -37.6 2.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.55 ' NH1' ' CE ' ' A' ' 542' ' ' MET . 0.6 OUTLIER -38.73 -55.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 564' ' ' LEU . 1.0 OUTLIER -61.62 -34.09 75.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 559' ' ' GLN . 1.5 t -45.15 -32.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.551 ' CG1' HD13 ' A' ' 545' ' ' LEU . 1.5 tp -61.95 -40.66 88.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.589 HD23 ' C ' ' A' ' 564' ' ' LEU . 0.9 OUTLIER -58.4 -36.6 73.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 74.1 mt -72.23 -45.32 62.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.47 -45.16 84.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.784 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.2 OUTLIER -68.92 -37.56 79.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 1.3 tt0 -62.34 -36.27 81.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -61.51 -40.39 94.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 567' ' ' LYS . 11.2 mt -60.11 -41.13 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 572' ' ' LYS . 1.4 mp0 -63.9 -43.23 96.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 571' ' ' GLN . 5.2 pttt 45.17 -163.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 8.6 t 43.56 83.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 10.1 t -115.61 124.39 50.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -72.53 135.8 22.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . 41.68 84.61 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.517 1.798 . . . . 0.0 111.005 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.422 ' SD ' ' HB2' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -37.78 118.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.535 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 33.1 p -43.79 169.01 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.535 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.1 Cg_endo -75.09 -13.15 21.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.607 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -71.17 -39.21 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.607 ' N ' HE21 ' A' ' 533' ' ' GLN . 15.6 t70 -69.32 -39.11 78.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -27.13 66.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.641 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -84.26 6.86 21.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.739 ' O ' HD12 ' A' ' 541' ' ' ILE . 39.5 mmtt -65.61 -23.42 66.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.794 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -69.18 -33.61 73.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.442 ' HA ' ' SD ' ' A' ' 542' ' ' MET . . . -59.66 -37.62 79.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.968 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.3 OUTLIER -69.09 -35.54 76.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.782 HG22 HD12 ' A' ' 545' ' ' LEU . 3.5 mt -86.49 -19.81 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.875 ' SD ' ' HB2' ' A' ' 549' ' ' ALA . 0.0 OUTLIER -59.95 -33.64 72.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.483 ' N ' ' HG2' ' A' ' 542' ' ' MET . 2.7 mt-30 -63.71 -48.04 78.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.0 t -69.76 -33.93 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.782 HD12 HG22 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -54.75 -90.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.599 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -104.75 -26.48 12.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.359 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.599 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.4 OUTLIER 95.76 13.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.12 127.05 15.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.875 ' HB2' ' SD ' ' A' ' 542' ' ' MET . . . -79.87 1.75 25.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -66.47 -48.52 69.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 546' ' ' GLN . 1.6 mp0 -69.81 -40.69 75.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.1 mm -71.82 -29.86 35.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -61.96 -28.47 69.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.72 -6.12 56.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.28 150.22 42.68 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.4 Cg_endo -74.96 172.28 16.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -35.36 3.16 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -72.54 -3.0 21.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.7 OUTLIER -117.08 -36.87 3.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.794 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 1.2 mtm180 -45.01 -57.21 3.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.532 HE22 HD11 ' A' ' 565' ' ' ILE . 0.0 OUTLIER -60.95 -27.75 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 2.4 t -44.69 -34.91 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.622 HD12 HD11 ' A' ' 545' ' ' LEU . 1.4 mm -62.04 -41.52 91.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.707 HD12 ' CB ' ' A' ' 537' ' ' LYS . 3.7 tt -61.45 -39.32 90.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.532 HD11 HE22 ' A' ' 561' ' ' GLN . 69.6 mt -64.56 -49.01 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -35.01 76.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.666 ' HG2' HG21 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -62.04 -36.49 81.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.49 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.78 -33.86 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . 0.49 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 51.3 mt-30 -60.58 -39.35 87.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.533 HD12 ' CE ' ' A' ' 567' ' ' LYS . 58.1 mt -61.65 -41.25 89.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.99 -42.42 94.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 73.9 68.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.78 172.58 18.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 8.9 t -81.7 162.61 22.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -148.69 -165.56 12.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -57.77 160.77 7.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.953 -179.961 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 14.3 p80 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.34 121.53 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.414 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.2 OUTLIER -44.88 169.96 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -21.05 16.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.526 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -69.82 -40.48 75.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.526 ' N ' HE21 ' A' ' 533' ' ' GLN . 0.5 OUTLIER -66.17 -37.96 86.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.557 ' CD2' ' HA ' ' A' ' 558' ' ' GLU . 3.8 m-70 -67.66 -25.52 65.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -81.18 5.94 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.647 ' HB3' HD12 ' A' ' 564' ' ' LEU . 29.2 mttt -64.93 -23.42 67.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -64.51 -28.89 69.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -52.13 -33.29 39.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.979 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.7 OUTLIER -67.45 -30.35 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.771 HG21 ' HG3' ' A' ' 567' ' ' LYS . 2.0 mt -108.43 11.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.538 ' HB2' ' O ' ' A' ' 539' ' ' ALA . 0.0 OUTLIER -66.92 -43.08 84.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.79 91.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.15 -42.64 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 563' ' ' ILE . 0.6 OUTLIER -95.39 22.92 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 548' ' ' THR . 0.0 OUTLIER -93.6 -5.28 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 546' ' ' GLN . 0.7 OUTLIER -36.21 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.783 HG22 ' H ' ' A' ' 550' ' ' ASP . 1.1 m -133.4 -51.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 86.44 -28.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.783 ' H ' HG22 ' A' ' 548' ' ' THR . 1.2 t70 -60.42 -38.88 85.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.53 ' O ' ' CD2' ' A' ' 555' ' ' LEU . 0.0 OUTLIER -67.01 -46.25 75.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.538 HG22 ' HD2' ' A' ' 560' ' ' ARG . 27.7 mm -69.85 -42.82 80.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.66 -21.45 62.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.413 ' CB ' ' O ' ' A' ' 550' ' ' ASP . 4.5 ttm -71.55 -23.13 61.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 555' ' ' LEU . 0.1 OUTLIER -99.3 159.3 30.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.1 Cg_endo -75.04 174.79 12.19 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.417 ' HA ' ' HG3' ' A' ' 560' ' ' ARG . 18.2 Cg_endo -75.01 -37.15 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . 0.557 ' HA ' ' CD2' ' A' ' 535' ' ' HIS . 3.3 tt0 -72.15 -2.15 17.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.459 ' HB2' ' HD2' ' A' ' 556' ' ' PRO . 1.1 mt-30 -117.55 -35.12 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.538 ' HD2' HG22 ' A' ' 552' ' ' ILE . 1.7 mtm180 -37.88 -50.55 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.1 OUTLIER -39.71 -26.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 560' ' ' ARG . 2.9 m -45.35 -35.22 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.555 HD12 ' HG ' ' A' ' 545' ' ' LEU . 12.8 mm -61.26 -36.62 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 537' ' ' LYS . 2.8 tt -67.74 -39.47 84.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 16.3 mm -64.07 -46.89 92.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -34.74 78.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.771 ' HG3' HG21 ' A' ' 541' ' ' ILE . 0.2 OUTLIER -61.46 -41.15 96.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.81 -44.93 94.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -63.83 -39.14 93.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 57.3 mt -59.98 -40.62 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -41.83 97.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt 64.41 71.33 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 22.5 t -109.58 167.8 9.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 5.0 t -88.24 43.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 576' ' ' ALA . . . -126.16 154.65 18.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.444 1.09 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 575' ' ' GLY . . . 72.88 158.65 0.17 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 -179.999 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -38.7 118.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.43 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.3 OUTLIER -44.44 169.17 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.398 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -75.0 -16.96 19.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.449 1.763 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.483 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.03 -39.99 75.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.483 ' N ' HE21 ' A' ' 533' ' ' GLN . 19.3 t70 -66.09 -39.61 90.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.0 -25.75 66.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -84.62 8.14 17.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -21.6 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -65.63 -33.07 75.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.478 ' O ' ' HB3' ' A' ' 542' ' ' MET . . . -56.17 -35.18 66.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.996 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.4 OUTLIER -61.65 -32.85 73.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.794 HD13 ' CE ' ' A' ' 567' ' ' LYS . 1.4 mp -96.91 -13.67 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.478 ' HB3' ' O ' ' A' ' 539' ' ' ALA . 3.0 tmm? -58.2 -40.68 82.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.437 ' HA ' ' CB ' ' A' ' 547' ' ' LEU . 0.2 OUTLIER -69.81 -37.71 76.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.35 -33.96 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.57 HD23 HG23 ' A' ' 541' ' ' ILE . 2.6 mm? -71.94 -100.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.444 ' HG3' ' NE2' ' A' ' 551' ' ' GLN . 2.8 pm0 -105.96 -29.57 9.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 543' ' ' GLN . 0.5 OUTLIER 72.7 96.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.729 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 52.7 m -159.05 -42.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.379 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.24 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -59.96 -38.07 81.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 554' ' ' MET . 1.2 mt-30 -63.49 -40.89 98.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.13 -27.97 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.41 90.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.461 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 10.4 ptm -76.77 -11.06 59.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.428 HD23 ' HG3' ' A' ' 554' ' ' MET . 0.4 OUTLIER -84.14 143.21 42.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.4 Cg_endo -75.02 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.43 3.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.66 -1.52 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.8 mt-30 -120.82 -38.02 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 2.0 ttp180 -47.08 -56.18 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -62.87 -23.93 67.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.1 t -46.53 -34.41 4.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.849 HG22 ' CD ' ' A' ' 567' ' ' LYS . 49.0 mm -63.08 -36.0 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 561' ' ' GLN . 3.4 tt -61.78 -39.35 91.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 562' ' ' SER . 19.9 mt -68.66 -49.33 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -28.6 66.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.849 ' CD ' HG22 ' A' ' 563' ' ' ILE . 0.9 OUTLIER -55.58 -41.53 73.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -62.58 -38.13 88.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -66.37 -39.04 88.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 72.0 mt -65.12 -41.65 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -43.31 89.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 7.6 mttp 66.34 82.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 7.6 t -134.27 -59.91 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 4.3 t -123.09 149.26 44.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . 0.661 ' O ' ' HB2' ' A' ' 576' ' ' ALA . . . -109.71 151.05 17.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.804 ' HB3' ' HD3' ' A' ' 577' ' ' PRO . . . 166.15 -53.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . 0.804 ' HD3' ' HB3' ' A' ' 576' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 3.6 mmt 59.88 165.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.587 ' CB ' ' CD ' ' A' ' 532' ' ' PRO . 0.6 OUTLIER -92.28 -172.56 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.659 ' HA ' ' CD2' ' A' ' 535' ' ' HIS . 18.3 Cg_endo -75.04 -18.32 18.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.563 1.823 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.609 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.23 -39.14 75.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.609 ' N ' HE21 ' A' ' 533' ' ' GLN . 5.5 t70 -60.93 -47.18 87.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.659 ' CD2' ' HA ' ' A' ' 532' ' ' PRO . 0.0 OUTLIER -77.04 -38.25 53.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.579 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 532' ' ' PRO . 30.2 tt0 -80.71 2.72 24.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.514 ' O ' HD12 ' A' ' 541' ' ' ILE . 0.6 OUTLIER -67.26 -22.29 65.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.675 ' HB3' ' HG3' ' A' ' 560' ' ' ARG . . . -67.36 -32.09 72.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.428 ' HA ' ' SD ' ' A' ' 542' ' ' MET . . . -56.69 -39.73 74.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.895 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.6 OUTLIER -69.12 -33.57 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.752 HG21 ' CG ' ' A' ' 567' ' ' LYS . 4.6 mt -86.17 -20.73 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.621 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -56.99 -32.14 65.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.5 ' N ' ' HG2' ' A' ' 542' ' ' MET . 2.4 mt-30 -63.45 -47.29 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.252 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.8 -32.28 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 1.045 HD23 ' OE1' ' A' ' 546' ' ' GLN . 8.3 tp -57.96 -91.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 1.045 ' OE1' HD23 ' A' ' 545' ' ' LEU . 3.0 pm0 -105.56 -19.9 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.646 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 7.9 tp 100.33 -62.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.446 ' O ' ' NE2' ' A' ' 546' ' ' GLN . 2.1 p -58.57 106.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.506 ' HB2' ' CE ' ' A' ' 542' ' ' MET . . . -60.69 -28.05 68.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -37.98 80.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.496 ' O ' ' CG ' ' A' ' 554' ' ' MET . 8.6 mt-30 -61.74 -45.28 94.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.956 ' HA ' HD12 ' A' ' 555' ' ' LEU . 0.1 OUTLIER -75.09 -34.04 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.82 -22.84 64.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 551' ' ' GLN . 0.0 OUTLIER -81.95 -6.46 59.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.956 HD12 ' HA ' ' A' ' 552' ' ' ILE . 6.7 mt -92.61 157.96 39.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.84 32.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.67 2.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.74 -11.94 30.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 562' ' ' SER . 2.9 mt-30 -104.47 -38.31 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.675 ' HG3' ' HB3' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -48.31 -65.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.67 -23.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 0.7 OUTLIER -63.21 -38.19 90.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.96 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.415 HD12 HH12 ' A' ' 560' ' ' ARG . 0.8 OUTLIER -61.69 -37.37 77.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.684 HD23 ' C ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.84 -38.9 92.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 82.4 mt -65.75 -47.28 86.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -33.43 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.752 ' CG ' HG21 ' A' ' 541' ' ' ILE . 1.6 mmtt -61.44 -48.79 79.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 8.3 pt-20 -65.52 -35.04 79.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.8 OUTLIER -62.3 -37.27 84.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 567' ' ' LYS . 64.4 mt -58.35 -35.47 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -60.41 -43.04 97.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 17.2 mttt 67.05 92.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.72 118.51 27.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 22.6 m -144.08 86.12 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 100.56 -133.14 11.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -132.97 157.3 78.71 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 111.023 179.987 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . 0.415 ' CG ' ' O ' ' A' ' 529' ' ' HIS . 8.2 p-80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -37.25 114.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.511 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 44.1 p -43.75 167.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.4 Cg_endo -74.99 -14.08 21.26 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.466 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 0.2 OUTLIER -71.21 -40.35 71.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.402 ' OD1' ' OE1' ' A' ' 561' ' ' GLN . 10.7 t70 -66.67 -37.95 85.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -67.38 -25.93 66.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.84 5.53 21.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -65.54 -23.51 66.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.73 ' HB1' ' HB ' ' A' ' 563' ' ' ILE . . . -69.63 -33.03 72.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -56.8 -36.81 70.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 1.023 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.3 OUTLIER -58.03 -34.4 70.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.714 HG21 ' HG3' ' A' ' 567' ' ' LYS . 3.7 mt -93.88 -26.56 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.526 ' HE2' HG12 ' A' ' 552' ' ' ILE . 1.3 tpt -57.42 -31.57 66.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.487 ' NE2' ' HA ' ' A' ' 540' ' ' LEU . 6.3 mt-30 -60.09 -37.73 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.42 -32.37 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.9 -100.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 547' ' ' LEU . 3.3 pm0 -105.79 -34.92 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.934 ' O ' HG23 ' A' ' 548' ' ' THR . 0.0 OUTLIER 86.63 92.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.934 HG23 ' O ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -178.43 107.56 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -61.16 -23.44 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.57 -38.76 85.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.468 ' HG3' ' CB ' ' A' ' 548' ' ' THR . 1.1 mt-30 -65.44 -39.87 92.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.526 HG12 ' HE2' ' A' ' 542' ' ' MET . 1.7 mm -74.73 -25.79 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.69 72.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.35 -7.45 59.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.497 HD12 HD13 ' A' ' 552' ' ' ILE . 12.1 mt -75.99 143.95 75.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.2 Cg_endo -75.03 174.44 12.78 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.578 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.01 128.35 11.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . 0.578 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 0.1 OUTLIER 92.19 -14.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.466 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.6 OUTLIER -91.49 -30.57 16.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 538' ' ' ALA . 10.8 mtm105 -60.44 -64.9 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.402 ' OE1' ' OD1' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -58.58 -14.88 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 3.3 t -47.93 -36.78 12.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.73 ' HB ' ' HB1' ' A' ' 538' ' ' ALA . 1.5 mt -61.42 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.1 -33.52 73.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 12.4 mm -71.27 -46.77 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -34.76 78.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.714 ' HG3' HG21 ' A' ' 541' ' ' ILE . 0.1 OUTLIER -61.42 -36.22 79.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.1 OUTLIER -61.1 -35.38 76.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.9 OUTLIER -66.57 -38.66 87.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.45 -34.7 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -64.41 -40.56 96.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 62.66 65.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.05 -60.57 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 9.2 t -129.87 156.96 43.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -86.93 91.41 1.73 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.72 ' HB3' ' HD3' ' A' ' 577' ' ' PRO . . . -69.65 -50.04 19.57 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 576' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.563 ' HB3' ' CE1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER -37.69 108.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.971 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.44 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 72.8 p -41.95 164.32 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.44 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.05 -16.61 20.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.617 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.74 -39.51 73.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.617 ' N ' HE21 ' A' ' 533' ' ' GLN . 24.7 t70 -63.75 -46.17 86.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.604 ' CE1' ' CG ' ' A' ' 558' ' ' GLU . 6.5 m-70 -71.31 -25.81 62.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.548 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -81.76 2.93 27.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.484 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 4.0 mtpt -63.48 -22.87 67.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -66.58 -30.47 70.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -54.39 -32.91 58.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 540' ' ' LEU . 1.5 tp -67.4 -31.26 71.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.902 HD13 ' HA ' ' A' ' 564' ' ' LEU . 3.0 mt -105.79 5.39 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 538' ' ' ALA . 13.0 mtp -66.51 -32.44 73.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 1.5 mp0 -61.52 -40.26 94.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.07 -42.92 76.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.992 HD22 HD11 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -95.28 21.63 7.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 542' ' ' MET . 0.0 OUTLIER -87.33 -10.13 53.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 547' ' ' LEU . 1.8 tm? -39.92 -29.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.733 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 25.0 m -129.31 -53.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.363 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 87.49 -33.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 554' ' ' MET . 2.8 t0 -59.57 -38.03 80.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.759 ' OE1' HD23 ' A' ' 545' ' ' LEU . 1.8 pt20 -61.74 -45.25 94.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.992 HD11 HD22 ' A' ' 545' ' ' LEU . 21.1 mm -74.94 -41.27 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -63.98 -22.63 67.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.465 ' CG ' ' O ' ' A' ' 550' ' ' ASP . 1.7 mmt -87.71 -5.15 58.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 552' ' ' ILE . 45.2 mt -83.67 140.55 41.08 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -75.02 175.26 11.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.424 1.749 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.3 Cg_endo -75.0 127.52 10.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.79 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . 0.604 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 0.7 OUTLIER 93.66 -15.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.32 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.3 OUTLIER -91.96 -30.46 16.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -50.1 -58.47 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 564' ' ' LEU . 24.9 tt0 -39.4 -35.23 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.527 ' HA ' HD12 ' A' ' 565' ' ' ILE . 6.0 t -43.83 -34.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.499 HG13 HD13 ' A' ' 545' ' ' LEU . 1.7 tp -62.15 -41.63 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.902 ' HA ' HD13 ' A' ' 541' ' ' ILE . 0.7 OUTLIER -58.46 -39.37 79.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 562' ' ' SER . 14.2 mt -66.72 -45.57 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.16 -44.35 84.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.939 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.0 OUTLIER -68.96 -36.69 78.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -62.41 -40.67 97.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.22 -39.11 91.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.939 HD12 ' HA ' ' A' ' 567' ' ' LYS . 14.9 mt -59.87 -38.26 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -62.02 -37.35 84.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.0 mttt 59.57 165.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 4.9 t -44.2 -61.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 87.7 m -86.85 127.49 35.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 168.12 -104.17 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . 60.81 159.5 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.477 1.777 . . . . 0.0 110.983 -179.99 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 38.7 t60 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.474 ' CG ' ' HB3' ' A' ' 534' ' ' ASP . 12.8 ttp -64.99 113.2 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.475 ' CB ' ' NE2' ' A' ' 533' ' ' GLN . 28.7 p -48.4 166.33 0.22 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -74.99 -15.65 20.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.475 ' NE2' ' CB ' ' A' ' 531' ' ' THR . 0.5 OUTLIER -70.15 -40.05 74.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.474 ' HB3' ' CG ' ' A' ' 530' ' ' MET . 54.7 t0 -60.38 -36.96 79.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 535' ' ' HIS . 2.0 m170 -67.1 -27.49 67.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -77.69 1.07 21.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.711 ' HB3' HD12 ' A' ' 564' ' ' LEU . 33.9 mmtt -65.7 -22.79 66.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.549 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -69.82 -32.92 71.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' ' 542' ' ' MET . . . -56.14 -35.01 66.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.959 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -66.71 -31.35 71.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.794 HG21 ' CG ' ' A' ' 567' ' ' LYS . 2.8 mt -96.33 -12.84 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.549 ' N ' ' O ' ' A' ' 538' ' ' ALA . 30.6 mmm -57.88 -35.36 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.504 ' HA ' ' CB ' ' A' ' 547' ' ' LEU . 0.1 OUTLIER -63.35 -39.09 93.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 36.3 t -63.17 -32.17 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -78.52 -96.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.604 ' NE2' ' N ' ' A' ' 547' ' ' LEU . 0.0 OUTLIER -106.41 -34.68 7.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 547' ' ' LEU . 0.2 OUTLIER 80.85 94.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 6.5 m -163.97 -53.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 85.44 -40.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' A' ' 553' ' ' ALA . 4.4 t0 -59.25 -36.67 75.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.457 ' NE2' ' HG2' ' A' ' 546' ' ' GLN . 4.8 mt-30 -61.31 -37.32 82.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.658 HD13 HD12 ' A' ' 555' ' ' LEU . 1.1 mm -63.34 -27.73 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 550' ' ' ASP . . . -59.15 -22.52 61.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 1.1 mmt -91.07 2.1 56.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.658 HD12 HD13 ' A' ' 552' ' ' ILE . 16.0 mt -112.39 149.82 41.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -43.0 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.806 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -62.59 -12.78 25.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.4 mt-30 -109.32 -33.19 6.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.541 ' CG ' HG23 ' A' ' 552' ' ' ILE . 1.9 ttp180 -55.53 -70.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.872 ' OE1' HD22 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -53.34 -19.52 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.1 t -50.8 -35.73 33.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.98 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.565 HG22 HD13 ' A' ' 541' ' ' ILE . 8.1 mt -61.86 -37.6 78.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.872 HD22 ' OE1' ' A' ' 561' ' ' GLN . 6.2 tt -68.12 -40.52 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 37.6 mt -62.65 -48.79 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.86 -34.84 77.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.794 ' CG ' HG21 ' A' ' 541' ' ' ILE . 4.9 mmtt -62.38 -37.67 86.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.95 -38.89 92.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -67.07 -39.34 86.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 567' ' ' LYS . 58.9 mt -60.33 -39.61 81.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.76 -43.17 89.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 9.1 mttt 65.06 168.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 3.2 t -43.12 126.21 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 15.4 t -166.16 143.28 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -41.86 124.25 3.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -114.68 159.26 37.85 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.494 1.787 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -39.74 118.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.405 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.0 OUTLIER -46.26 172.64 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.2 Cg_endo -75.03 -13.26 21.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.412 ' C ' ' CD ' ' A' ' 533' ' ' GLN . 1.0 OUTLIER -69.65 -40.23 76.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.98 -37.59 86.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -72.73 -28.26 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -83.0 5.0 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.651 ' HB3' HD12 ' A' ' 564' ' ' LEU . 5.4 mmtp -63.99 -23.33 67.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.865 ' HB2' ' O ' ' A' ' 560' ' ' ARG . . . -65.95 -34.43 78.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.486 ' O ' ' OE1' ' A' ' 543' ' ' GLN . . . -63.15 -33.24 75.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.987 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -64.48 -30.15 71.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.343 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.543 ' CG2' ' O ' ' A' ' 541' ' ' ILE . 0.4 OUTLIER -108.98 3.53 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.654 ' CE ' ' HB2' ' A' ' 549' ' ' ALA . 6.0 tmm? -66.53 -31.26 71.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 540' ' ' LEU . 0.3 OUTLIER -60.62 -47.7 85.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.945 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.41 -34.05 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.944 ' CD2' HD11 ' A' ' 563' ' ' ILE . 0.2 OUTLIER -54.37 -88.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.799 ' HG3' HD12 ' A' ' 545' ' ' LEU . 0.0 OUTLIER -107.56 -26.34 10.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 547' ' ' LEU . 1.5 tt 96.67 22.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 542' ' ' MET . 7.4 m -152.43 144.83 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.435 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.654 ' HB2' ' CE ' ' A' ' 542' ' ' MET . . . -88.98 -24.1 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.33 -39.03 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -68.72 -39.46 80.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.755 HD13 HD12 ' A' ' 555' ' ' LEU . 1.9 mm -70.67 -27.73 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.59 -22.86 64.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.47 -8.81 59.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.755 HD12 HD13 ' A' ' 552' ' ' ILE . 45.7 mt -100.08 146.68 32.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.1 Cg_endo -74.98 173.53 14.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.24 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -66.15 -8.87 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.7 OUTLIER -112.8 -38.66 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.865 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 0.1 OUTLIER -45.04 -59.42 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.593 ' OE1' HD22 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -57.27 -35.56 69.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.4 t -45.09 -34.0 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.947 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.944 HD11 ' CD2' ' A' ' 545' ' ' LEU . 1.8 tt -63.82 -44.1 98.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.651 HD12 ' HB3' ' A' ' 537' ' ' LYS . 0.6 OUTLIER -57.21 -34.42 68.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.14 -46.58 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.48 -44.89 81.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' A' ' 570' ' ' ILE . 2.5 mptt -67.07 -35.03 78.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 564' ' ' LEU . 1.5 mm-40 -61.15 -36.45 79.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -61.49 -40.82 95.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 567' ' ' LYS . 43.6 mt -60.05 -41.49 86.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.77 -32.02 73.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 28.3 mttt 66.9 89.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 48.2 t -143.54 -62.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 3.4 m 62.53 122.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -156.16 120.85 1.03 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -115.55 94.37 39.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.994 179.973 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 4.7 m170 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.47 115.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.432 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 0.0 OUTLIER -46.46 171.79 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.404 179.951 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.432 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.5 Cg_endo -74.94 -13.16 21.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.416 ' CD ' ' C ' ' A' ' 533' ' ' GLN . 0.6 OUTLIER -69.79 -46.73 65.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.54 -39.01 86.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -67.47 -27.03 66.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.588 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -83.11 6.31 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 564' ' ' LEU . 0.6 OUTLIER -64.56 -23.4 67.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.67 -32.33 72.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.454 ' HA ' ' SD ' ' A' ' 542' ' ' MET . . . -56.74 -37.68 71.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.876 ' O ' HD12 ' A' ' 540' ' ' LEU . 0.6 OUTLIER -70.57 -33.13 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.546 HD13 ' HA ' ' A' ' 564' ' ' LEU . 6.3 mt -90.46 -9.73 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.593 ' N ' ' O ' ' A' ' 538' ' ' ALA . 1.9 ptt? -66.76 -34.37 77.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.512 ' N ' ' HG2' ' A' ' 542' ' ' MET . 1.2 mt-30 -64.17 -39.5 94.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 3.9 t -63.36 -32.57 57.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.741 ' HG ' HD11 ' A' ' 563' ' ' ILE . 0.2 OUTLIER -73.76 -97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.444 ' H ' ' NE2' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -106.08 -36.19 7.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 547' ' ' LEU . 0.2 OUTLIER 76.96 98.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . 0.715 ' O ' ' HB3' ' A' ' 549' ' ' ALA . 47.5 p -157.47 -46.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 548' ' ' THR . . . 86.02 -44.2 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 553' ' ' ALA . 5.6 t0 -63.72 -39.21 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -64.29 -38.79 92.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.723 HG22 ' HD2' ' A' ' 560' ' ' ARG . 12.4 mm -63.85 -26.76 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 550' ' ' ASP . . . -68.16 -22.54 64.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 2.8 mmt -83.74 -8.53 59.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 556' ' ' PRO . 12.0 mt -74.79 143.15 77.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 555' ' ' LEU . 18.3 Cg_endo -75.02 175.01 11.81 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.811 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.504 ' O ' ' CB ' ' A' ' 558' ' ' GLU . 18.5 Cg_endo -74.96 130.06 12.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 557' ' ' PRO . 2.0 mt-10 87.02 -13.15 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 110.356 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 562' ' ' SER . 0.1 OUTLIER -91.6 -30.05 16.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.723 ' HD2' HG22 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -56.26 -60.43 3.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -18.6 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 2.7 t -48.7 -35.85 14.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.741 HD11 ' HG ' ' A' ' 545' ' ' LEU . 0.1 OUTLIER -62.18 -42.38 94.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.546 ' HA ' HD13 ' A' ' 541' ' ' ILE . 2.1 tt -59.71 -34.59 73.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 15.0 mm -70.13 -46.08 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -35.46 80.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.765 ' HA ' HD12 ' A' ' 570' ' ' ILE . 0.0 OUTLIER -68.67 -45.85 70.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 569' ' ' GLN . 0.0 OUTLIER -61.52 -35.36 77.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 10.5 mt-30 -63.21 -38.61 91.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 567' ' ' LYS . 30.4 mt -59.37 -41.89 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . 0.406 ' OE1' ' CA ' ' A' ' 571' ' ' GLN . 0.9 OUTLIER -64.86 -38.51 91.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt 63.01 83.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 6.3 t -157.41 167.57 29.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 26.4 m -121.55 126.87 50.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.428 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . -162.18 178.79 37.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.698 ' HB3' ' HD3' ' A' ' 577' ' ' PRO . . . -59.04 -50.15 89.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' A' ' 576' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.415 ' O ' ' O ' ' A' ' 531' ' ' THR . 0.0 OUTLIER -38.92 115.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.469 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 70.6 p -41.96 164.88 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.03 -20.18 17.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.609 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.41 -39.38 74.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.609 ' N ' HE21 ' A' ' 533' ' ' GLN . 4.2 t70 -66.91 -37.19 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.56 -25.97 61.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.629 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.57 7.2 46.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.891 ' HB3' HD12 ' A' ' 564' ' ' LEU . 0.5 OUTLIER -70.03 -22.53 63.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 542' ' ' MET . . . -68.02 -31.12 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.616 ' HB2' HH22 ' A' ' 560' ' ' ARG . . . -53.9 -37.05 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.486 ' O ' ' NE2' ' A' ' 543' ' ' GLN . 3.0 tp -70.11 -32.78 70.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.722 HG21 ' CG ' ' A' ' 567' ' ' LYS . 7.2 mm -90.14 -10.24 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.586 ' SD ' HG21 ' A' ' 552' ' ' ILE . 0.0 OUTLIER -60.72 -41.52 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.536 ' O ' ' HA ' ' A' ' 547' ' ' LEU . 0.2 OUTLIER -67.13 -47.44 71.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 22.2 t -69.63 -34.77 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 546' ' ' GLN . 3.1 tm? -45.97 -84.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.717 ' N ' HD13 ' A' ' 545' ' ' LEU . 0.8 OUTLIER -104.49 -38.87 6.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.67 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 5.1 tp 149.2 -20.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 19.7 p -147.17 157.0 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 542' ' ' MET . . . -86.13 -5.43 59.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.494 ' O ' ' HB3' ' A' ' 553' ' ' ALA . 2.6 t0 -62.58 -42.95 99.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -65.58 -44.54 86.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.602 HD11 ' HG ' ' A' ' 545' ' ' LEU . 1.3 mm -74.45 -22.42 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 550' ' ' ASP . . . -54.27 -21.46 9.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -15.28 60.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.55 152.26 43.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.491 ' O ' ' CG ' ' A' ' 560' ' ' ARG . 18.1 Cg_endo -75.08 171.76 17.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.03 3.38 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -73.33 -1.88 19.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.8 mt-30 -119.36 -36.33 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.616 HH22 ' HB2' ' A' ' 539' ' ' ALA . 3.0 mtm180 -40.98 -55.01 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.51 ' NE2' HD11 ' A' ' 565' ' ' ILE . 0.0 OUTLIER -46.45 -30.12 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.248 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 76.9 p -42.08 -42.06 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.082 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . . . . . . . . . 13.4 mm -59.16 -42.64 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.891 HD12 ' HB3' ' A' ' 537' ' ' LYS . 0.9 OUTLIER -61.6 -39.2 90.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.51 HD11 ' NE2' ' A' ' 561' ' ' GLN . 72.4 mt -65.63 -47.42 86.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -34.54 78.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.795 ' HE2' HD12 ' A' ' 570' ' ' ILE . 2.4 mmtt -61.21 -36.9 81.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.38 -36.29 81.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -67.3 -39.01 85.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . 0.795 HD12 ' HE2' ' A' ' 567' ' ' LYS . 66.0 mt -59.76 -41.72 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.98 -39.99 94.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 35.2 mttt 63.28 135.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.2 133.89 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.971 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 1.7 t -162.55 51.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 101.92 59.95 0.77 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.464 ' HB1' ' HD2' ' A' ' 577' ' ' PRO . . . -93.5 163.04 25.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 576' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 530' ' ' MET . . . . . 0.418 ' HB3' ' CE1' ' A' ' 535' ' ' HIS . 0.0 OUTLIER -37.64 112.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 111.048 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 531' ' ' THR . . . . . 0.464 ' HB ' ' HD2' ' A' ' 532' ' ' PRO . 73.2 p -41.83 164.59 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.406 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 531' ' ' THR . 18.3 Cg_endo -75.01 -18.77 18.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 533' ' ' GLN . . . . . 0.616 HE21 ' N ' ' A' ' 534' ' ' ASP . 0.0 OUTLIER -70.56 -39.26 74.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 534' ' ' ASP . . . . . 0.616 ' N ' HE21 ' A' ' 533' ' ' GLN . 4.2 t70 -67.91 -39.23 83.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.418 ' CE1' ' HB3' ' A' ' 530' ' ' MET . 13.3 m-70 -67.36 -26.73 66.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.63 9.65 15.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.48 ' HB2' HD12 ' A' ' 564' ' ' LEU . 2.6 mmtp -68.99 -25.05 64.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.838 ' HB1' ' HB ' ' A' ' 563' ' ' ILE . . . -70.92 -31.27 67.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . 0.594 ' O ' ' HE2' ' A' ' 542' ' ' MET . . . -55.55 -36.13 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.442 HD23 HD12 ' A' ' 541' ' ' ILE . 0.0 OUTLIER -67.59 -36.04 80.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.61 HD13 ' HG3' ' A' ' 567' ' ' LYS . 1.9 mt -85.85 -25.2 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 542' ' ' MET . . . . . 0.595 ' N ' ' O ' ' A' ' 538' ' ' ALA . 0.0 OUTLIER -56.66 -32.02 64.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 547' ' ' LEU . 3.6 mt-30 -60.91 -41.04 95.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.82 -29.5 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.793 HD22 ' OE1' ' A' ' 546' ' ' GLN . 0.2 OUTLIER -68.75 -78.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.793 ' OE1' HD22 ' A' ' 545' ' ' LEU . 3.1 mp0 -101.72 -37.14 8.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 546' ' ' GLN . 0.6 OUTLIER 96.59 16.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 3.0 m -143.59 140.06 29.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.438 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 553' ' ' ALA . . . -88.81 0.82 56.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -64.98 -48.45 73.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . 0.421 ' NE2' ' CB ' ' A' ' 546' ' ' GLN . 1.1 mp0 -70.01 -39.17 76.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 542' ' ' MET . 0.9 OUTLIER -70.42 -30.21 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 549' ' ' ALA . . . -60.1 -22.77 63.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -4.2 53.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 9.7 mt -92.49 146.9 33.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 559' ' ' GLN . 18.3 Cg_endo -74.97 173.07 15.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.39 2.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.779 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 558' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -71.73 -3.7 23.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 562' ' ' SER . 1.7 mt-30 -116.64 -37.74 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 560' ' ' ARG . . . . . 0.524 ' O ' ' CB ' ' A' ' 538' ' ' ALA . 2.7 ttp180 -51.79 -62.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 564' ' ' LEU . 0.0 OUTLIER -56.34 -26.37 52.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.23 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 562' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 559' ' ' GLN . 1.7 t -44.31 -35.47 2.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 563' ' ' ILE . . . . . 0.838 ' HB ' ' HB1' ' A' ' 538' ' ' ALA . 0.5 OUTLIER -61.59 -41.18 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 561' ' ' GLN . 2.0 tt -60.48 -35.42 75.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 568' ' ' GLU . 15.4 mm -69.01 -46.16 79.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.48 -31.81 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.61 ' HG3' HD13 ' A' ' 541' ' ' ILE . 2.5 mmtt -59.91 -49.0 79.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 565' ' ' ILE . 6.6 pt-20 -66.48 -34.55 78.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.243 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 569' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 568' ' ' GLU . 0.0 OUTLIER -64.98 -37.09 86.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 70.8 mt -57.96 -41.68 80.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 567' ' ' LYS . 1.3 mp0 -60.56 -40.75 92.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 572' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -88.05 66.53 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 573' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.55 94.06 4.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 1.1 m -129.65 -61.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . . . . . . . . . . . 160.04 61.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . 60.99 155.08 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.457 1.767 . . . . 0.0 110.97 179.99 . . . . . . . . 0 0 . 1 stop_ save_